SCHEMBL5600491

SCHEMBL5600491

Cc1[nH]nnc1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.45
PARP1 P09874 1/20 0.42
AR P10275 1/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2C9 P11712 2/20 0.41
CALM1 P0DP23 1/20 0.41
LTB4R Q15722 2/20 0.41
SMO Q99835 1/20 0.40
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
DAO P14920 1/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL26070491 0.85 P2RX3 (0.47)
SCHEMBL27598523 0.80 DAO (0.41) DAO
SCHEMBL1203617 0.78 LTB4R (0.50) HTR2CPARP1ARHPGDALDH1A1
SCHEMBL9525223 0.77 LTB4R (0.49) HTR2CPARP1ARHPGDALDH1A1
SCHEMBL21531465 0.77 CALM1 (0.46) HTR2CPARP1ARHPGDALDH1A1
SCHEMBL305311 0.77 PARP1 (0.42) HTR2CPARP1ARHPGDALDH1A1
SCHEMBL1899771 0.77 PARP1 (0.43) HTR2CPARP1ARHPGDALDH1A1
SCHEMBL6713000 0.77 PARP1 (0.42) HTR2CPARP1ARHPGDALDH1A1
Water SCHEMBL8182334 0.76 PARP1 (0.42) HTR2CPARP1ARHPGDALDH1A1
SCHEMBL16050773 0.76 NR1H2 (0.42) HTR2CPARP1ARHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-5422026-A Phosphate-free antifreeze formulation ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1995-06-06 US claimed
EP-0170054-B1 INSULATING OIL FOR ELECTRICAL DEVICES SIEMENS AKTIENGESELLSCHAFT (DE) 1990-01-24 EP claimed
EP-0170054-A1 Insulating oil for electrical devices SIEMENS AKTIENGESELLSCHAFT (DE) 1986-02-05 EP claimed
EP-4488349-B1 AZOLE DERIVATIVES AS LUBRICATING ADDITIVES LUBRIZOL CORP (US) 2026-05-20 EP disclosed
EP-4488349-A2 AZOLE DERIVATIVES AS LUBRICATING ADDITIVES The Lubrizol Corporation (US) 2025-01-08 EP disclosed
EP-3440165-B1 MERCAPTOAZOLE DERIVATIVES AS LUBRICATING ADDITIVES LUBRIZOL CORP (US) 2024-12-18 EP disclosed
EP-3337881-B1 AZOLE DERIVATIVES AS LUBRICATING ADDITIVES LUBRIZOL CORP (US) 2024-10-09 EP disclosed
EP-3337882-B1 AZOLE DERIVATIVES AS LUBRICATING ADDITIVES LUBRIZOL CORP (US) 2024-10-02 EP disclosed
US-11674105-B2 Azole derivatives as lubricating additives THE LUBRIZOL CORPORATION (US) 2023-06-13 US disclosed
CN-109312247-B Mercaptopyrrole derivatives as lubricant additives 路博润公司 2022-05-24 CN disclosed
CN-108138070-B Pyrrole derivatives as lubricant additives 路博润公司 2022-01-25 CN disclosed
WO-2017031145-A1 AZOLE DERIVATIVES AS LUBRICATING ADDITIVES THE LUBRIZOL CORPORATION (US) 2017-02-23 WO disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
US-5422026-A Phosphate-free antifreeze formulation ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1995-06-06 US disclosed
US-5240631-A Antifreeze formulation containing phosphorous acid ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1993-08-31 US disclosed
CN-1061252-A Colouring method and product dyed thereby MATSUI SHIKISO KAGAKU KOGYOSHO (JP) 1992-05-20 CN disclosed
EP-0170054-B1 INSULATING OIL FOR ELECTRICAL DEVICES SIEMENS AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed
EP-0170054-A1 Insulating oil for electrical devices SIEMENS AKTIENGESELLSCHAFT (DE) 1986-02-05 EP disclosed