SCHEMBL5828459

SCHEMBL5828459

CN(C)c1ccccc1C(=S)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSP90AA1 P07900 2/20 0.45
CNR2 P34972 2/20 0.38
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HTR6 P50406 1/20 0.35
GFER P55789 1/20 0.35
MASP2 O00187 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6885218 0.85 MAPT (0.43) ALDH1A1MAPTGAATP53TSHR
SCHEMBL15633355 0.81 MAPT (0.59) ALDH1A1MAPTGAATP53TSHR
SCHEMBL11874450 0.81 ALDH1A1 (0.50) ALDH1A1MAPTGAATP53TSHR
SCHEMBL28005507 0.79 ALDH1A1 (0.38) ALDH1A1MAPTGAATP53TSHR
SCHEMBL9148333 0.78 ALDH1A1 (0.44) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL28060104 0.78 ALDH1A1 (0.55) ALDH1A1MAPTGAATP53TSHR
SCHEMBL29384309 0.76 MAPT (0.77) ALDH1A1MAPTGAATP53TSHR
SCHEMBL501813 0.76 MAPT (0.77) ALDH1A1MAPTGAATP53TSHR
SCHEMBL4877612 0.76 ALDH1A1 (0.53) ALDH1A1MAPTGAATP53TSHR
SCHEMBL10931124 0.76 ALDH1A1 (0.53) ALDH1A1MAPTGAATP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116905212-A Aramid fiber oiling agent with surface modification function, preparation method thereof and surface treatment method 哈尔滨工业大学 2023-10-20 CN claimed
CN-115779157-A Reactive biomedical coating and preparation method thereof 国科温州研究院(温州生物材料与工程研究所) 2023-03-14 CN claimed
CN-105220448-B The method of material surface modifying associated with plasma and chemical method 哈尔滨工业大学 2017-08-25 CN claimed
CN-105271192-A Preparation method of modified graphene HARBIN INST OF TECHNOLOGY 2016-01-27 CN claimed
CN-105218412-A The method of the controlled modification of a kind of carbon material surface HARBIN INST OF TECHNOLOGY 2016-01-06 CN claimed
CN-105220448-A The method of the material surface modifying of plasma and chemical method coupling HARBIN INST OF TECHNOLOGY 2016-01-06 CN claimed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP claimed
CN-116905212-A Aramid fiber oiling agent with surface modification function, preparation method thereof and surface treatment method 哈尔滨工业大学 2023-10-20 CN disclosed
CN-116348440-A Process for producing 2- (halomethyl) naphthalene and 2-naphthylacetonitrile 株式会社API 2023-06-27 CN disclosed
CN-115779157-A Reactive biomedical coating and preparation method thereof 国科温州研究院(温州生物材料与工程研究所) 2023-03-14 CN disclosed
WO-2022045304-A1 METHOD FOR PRODUCING 2-(HALOGENATED METHYL)NAPHTHALENE AND 2-NAPHTHYL ACETONITRILE 株式会社エーピーアイ コーポレーション 2022-03-03 WO disclosed
CN-107532229-B Process for leaching metal sulphides with an agent having a thiocarbonyl function 不列颠哥伦比亚大学 2021-10-08 CN disclosed
CN-111850294-A Process for leaching metal sulphides with an agent having a thiocarbonyl function 不列颠哥伦比亚大学 2020-10-30 CN disclosed
US-4943523-A METAL CHELATING GROUPS OR BIOTIN ATTACHED TO POLYSACCHARIDES, POLYPEPTIDES, POLYNUCLEOTIDES OR SYNTHETIC POLYMERS; IMMUNOASSAY IMAGING ENZO BIOCHEM, INC. (US) 1990-07-24 US disclosed
EP-0329198-A2 Ribose- and 2-deoxyribose compounds YALE UNIVERSITY (US) 1989-08-23 EP disclosed
US-4849208-A Detectable molecules, method of preparation and use ENZO BIOCHEM, INC. (US) 1989-07-18 US disclosed
US-4849505-A Detectable molecules, method of preparation and use ENZO BIOCHEM, INC. (US) 1989-07-18 US disclosed
US-4843122-A COUPLING AGENT BETWEEN BIOPOLYMER AND CHELATE AGENT OR BIOTIN ENZO BIOCHEM, INC. (US) 1989-06-27 US disclosed
EP-0154788-A2 Detectable molecules, method of preparation and use ENZO BIOCHEM, INC. (US) 1985-09-18 EP disclosed
EP-0063879-A2 Modified nucleotides and methods of preparing and using same YALE UNIVERSITY (US) 1982-11-03 EP disclosed