SCHEMBL3704332

SCHEMBL3704332

Cc1nc(-c2cc(Cl)c3[nH]c(CC4CCCC4)cc3c2)sc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
XDH P47989 3/20 0.43
GAA P10253 1/20 0.43
KDM5B Q9UGL1 2/20 0.41
KDM5A P29375 1/20 0.40
PPARA Q07869 3/20 0.38
ALDH1A1 P00352 1/20 0.37
TARBP2 Q15633 1/20 0.36
PPARD Q03181 1/20 0.36
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL3707471 0.89 CDC7 (0.45) KDM4EALDH1A1
SCHEMBL3707995 0.82 RAB9A (0.47) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL3706864 0.82 RAB9A (0.47) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL3704896 0.80 SMN1; SMN2 (0.43) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL7892645 0.78 RAB9A (0.44) RAB9AKDM4ESMN1; SMN2NPC1POLB
Hydrochloric Acid SCHEMBL3702888 0.78 RAB9A (0.43) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL3712291 0.75 XDH (0.41) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL3714669 0.74 XDH (0.40) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL3707628 0.72 XDH (0.39) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL8867752 0.71 RAB9A (0.64) RAB9AKDM4ESMN1; SMN2NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO claimed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed
WO-2010093191-A2 NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2010-08-19 WO disclosed