SCHEMBL776889

SCHEMBL776889

c1ccc(-c2ccccc2CSCc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.58
KMT2A Q03164 1/20 0.48
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
HTR7 P34969 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL775057 0.86 DPP4 (0.58) DPP4KMT2APDCD1CD274CA12
SCHEMBL28966771 0.83 KCNA5 (0.49) DPP4KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2210873 0.82 CYP1A2 (0.58) DPP4KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL9496858 0.82 DPP4 (0.46) DPP4KMT2APDCD1CD274CA12
SCHEMBL2208060 0.82 DPP4 (0.54) DPP4KMT2APDCD1CD274CA12
Phosphine SCHEMBL11707120 0.81 DPP4 (0.44) DPP4KMT2APDCD1CD274CA12
SCHEMBL1196727 0.81 ALDH1A1 (0.51) DPP4KMT2ACA12CA1CA2
SCHEMBL12433146 0.80 ALDH1A1 (0.53) DPP4KMT2APDCD1CD274CA12
SCHEMBL31387875 0.77 DPP4 (0.65) DPP4KMT2APDCD1CD274CA12
SCHEMBL2841431 0.77 DPP4 (0.65) DPP4KMT2APDCD1CD274CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108054283-B Molybdenum trioxide anode interface layer with insensitive film thickness, preparation method thereof and application thereof in organic solar cell 中国科学院化学研究所 2021-03-05 CN claimed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
CN-117619301-A Gas phase reactor of gradient energy plasma and use method 浙江大学 2024-03-01 CN disclosed
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
CN-108054283-B Molybdenum trioxide anode interface layer with insensitive film thickness, preparation method thereof and application thereof in organic solar cell 中国科学院化学研究所 2021-03-05 CN disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
CN-1112354-C Stereoselective preparation of chiral 1-aryl-and 1-heteroaryl-2-substituted ethyl-2-amines AVENTIS PHARMACEUTICAL CO (US) 2003-06-25 CN disclosed
CN-1388119-A Stereoselective preparation of chiral 1-aryl-and 1-heteroaryl-2-substituted ethyl-2-amines AVENTIES PHARMACEUTICALS INC (US) 2003-01-01 CN disclosed
US-6464899-B1 VAPORIZABLE MATERIAL CONTAINED WITHIN SAID BASE MATERIAL AND WHICH RELEASES A VAPOR PHASE INHIBITING COMPOUND TO INHIBIT CORROSION OF METAL HENKEL LOCTITE CORPORATION 2002-10-15 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
CN-1230176-A Stereoselective preparation of chiral 1-aryl-and 1-heteroaryl-2-substituted ethyl-2-amines RHONE POULENC RORER PHARMA (US) 1999-09-29 CN disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
US-5196477-A Protective coating for metal contactor in electronic circuits SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-03-23 US disclosed
US-4330302-A DIBENZOTHIOPHENES AND AMINES OR CARBAZOLES AS ADDITIVES EXXON RESEARCH & ENGINEERING CO. (US) 1982-05-18 US disclosed
US-4280894-A ADDING DIBENZOTHIOPHENES, AMINES OR CARBAZOLES PRODUCES BLENDS SUITABLE FOR USE AS JET FUELS EXXON RESEARCH & ENGINEERING CO. (US) 1981-07-28 US disclosed