SCHEMBL6642827

SCHEMBL6642827

Cc1nc2c(C#N)c[nH]n2c2nccc1-2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 16/20 0.50
▸ KDM4E B2RXH2 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CYP2C9 P11712 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ FPR1 P21462 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDM5B Q9UGL1 2/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM5D Q9BY66 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ PHF8 Q9UPP1 1/20 0.41

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
SCHEMBL31376518 0.69 KDM5A (0.55) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL29357592 0.61 KDM5A (0.52) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL15266367 0.60 KDM5A (0.40) KDM5AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL3671909 0.58 TSHR (0.38) ALDH1A1CYP2C9GAACYP2C19
SCHEMBL15680079 0.57 ROCK2 (0.39) KDM4EALDH1A1LMNAGAA
SCHEMBL17570530 0.57 TSHR (0.37) ALDH1A1GAA
SCHEMBL252009 0.57 CYP11B1 (0.37) —
SCHEMBL9393957 0.57 LRRK2 (0.40) —
SCHEMBL3358649 0.56 — —
SCHEMBL1975863 0.56 TSHR (0.35) KDM4EHSD17B10CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976754-B1 REMEDIES/PREVENTIVES FOR RESPIRATORY DISEASES POLA CHEM IND INC (JP) 2004-07-14 — — EP disclosed
US-6329382-B1 TREATMENT OF RESPIRATORY DISEASES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-12-11 — — US disclosed
US-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 — — US disclosed
EP-0976754-A1 REMEDIES/PREVENTIVES FOR RESPIRATORY DISEASES POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-02-02 — — EP disclosed
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