SCHEMBL7456383

SCHEMBL7456383

Cc1cc(Oc2ncccn2)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AR P10275 8/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP19A1 P11511 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
APAF1 O14727 1/20 0.43
SLC22A12 Q96S37 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 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
SCHEMBL16483449 0.83 FFAR4 (0.48) RAB9AARMEN1KMT2ACYP19A1
SCHEMBL30689410 0.83 DRD1 (0.46) ARCYP19A1MRGPRX4SLC22A12
SCHEMBL17623897 0.78 AR (0.53) ALDH1A1SMN1; SMN2ARCYP19A1MRGPRX4
SCHEMBL16483358 0.77 FFAR4 (0.47) ARCYP19A1MRGPRX4SLC22A12
SCHEMBL509379 0.77 AR (0.50) RAB9AKDM4EALDH1A1ARMEN1
SCHEMBL7454153 0.76 PPARG (0.48) RAB9AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13890508 0.75 AR (0.66) ARCYP19A1SLC22A12
SCHEMBL7448098 0.75 MEN1 (0.47) RAB9AKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13890548 0.75 AR (0.53) RAB9AKDM4EALDH1A1ARMEN1
SCHEMBL18957421 0.75 MEN1 (0.56) RAB9AKDM4EALDH1A1SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920430-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
WO-1998007725-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed