SCHEMBL20182944

SCHEMBL20182944

NCc1cccc(CN)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.55
GABRB2 P47870 3/20 0.55
PNMT P11086 3/20 0.50
ABAT P80404 1/20 0.43
DPP4 P27487 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
ENPP2 Q13822 1/20 0.42
HMGB1 P09429 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
ADAMTS4 O75173 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGFR P00533 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
FYN P06241 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL24349403 0.90 GABRA1 (0.46) GABRA1GABRB2PNMTABATDPP4
SCHEMBL366656 0.87 ADAMTS4 (0.52) GABRA1GABRB2PNMTTAAR1ADAMTS4
Hydrochloric Acid SCHEMBL1998632 0.85 ADAMTS4 (0.50) GABRA1GABRB2PNMTTAAR1ADAMTS4
Bromide SCHEMBL622788 0.85 ADAMTS4 (0.50) GABRA1GABRB2PNMTTAAR1ADAMTS4
SCHEMBL2019654 0.85 MMP2 (0.43) GABRA1GABRB2PNMTABATDPP4
SCHEMBL639486 0.83 PNMT (0.64) GABRA1GABRB2PNMTDPP4TAAR1
SCHEMBL11763142 0.83 TAAR1 (0.50) GABRA1GABRB2PNMTABATDPP4
SCHEMBL14689847 0.83 TAAR1 (0.46) GABRA1GABRB2PNMTABATTAAR1
SCHEMBL14764222 0.83 GABRA1 (0.44) GABRA1GABRB2PNMTABATDPP4
SCHEMBL773960 0.83 ALDH1A1 (0.56) GABRA1GABRB2PNMTTAAR1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239756-B Polyisocyanate composition stable in visible light and application thereof 万华化学集团股份有限公司 2024-08-16 CN claimed
CN-116239756-A Polyisocyanate composition stable in visible light and application thereof 万华化学集团股份有限公司 2023-06-09 CN claimed
CN-1321727-C Novel reverse osmosis antioxidant compound membrane of polyamide and its preparing method DEV CT OF WATER TREAT TECHNOLO (CN) 2007-06-20 CN claimed
CN-1631500-A Novel reverse osmosis antioxidant compound membrane of polyamide and its preparing method DEV CT OF WATER TREAT TECHNOLO (CN) 2005-06-29 CN claimed
WO-2024177097-A1 HYDROXYL GROUP-CONTAINING POLYAMIDE RESIN COMPOSITION, LAMINATE, PACKAGING MATERIAL, AND GAS BARRIER MATERIAL 東洋紡株式会社 2024-08-29 WO disclosed
CN-116239756-B Polyisocyanate composition stable in visible light and application thereof 万华化学集团股份有限公司 2024-08-16 CN disclosed
CN-116239756-A Polyisocyanate composition stable in visible light and application thereof 万华化学集团股份有限公司 2023-06-09 CN disclosed
US-10647939-B2 Thiadiazole components, compositions, and methods INTERNATIONAL PETROLEUM PRODUCTS & ADDITIVES COMPANY, INC. (US) 2020-05-12 US disclosed
US-20180142181-A1 Thiadiazole Components, Compositions, and Methods INTERNATIONAL PETROLEUM PRODUCTS & ADDITIVES COMPANY, INC. 2018-05-24 US disclosed
CN-1321727-C Novel reverse osmosis antioxidant compound membrane of polyamide and its preparing method DEV CT OF WATER TREAT TECHNOLO (CN) 2007-06-20 CN disclosed
CN-1631500-A Novel reverse osmosis antioxidant compound membrane of polyamide and its preparing method DEV CT OF WATER TREAT TECHNOLO (CN) 2005-06-29 CN disclosed