SCHEMBL8306743

SCHEMBL8306743

COc1ccc(-c2cc(Cl)[c]c(Cl)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
ABL1 P00519 3/20 0.50
ABCB1 P08183 3/20 0.50
BCR P11274 3/20 0.50
ESR2 Q92731 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
DYRK1A Q13627 2/20 0.46

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
SCHEMBL17514699 0.83 CYP1A1 (0.50) ABL1ABCB1BCRHSD17B1HSD17B2
SCHEMBL920933 0.79 ABL1 (0.71) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL3743494 0.79 ABL1 (0.71) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL484937 0.77 ALDH1A1 (0.53) ABL1ABCB1BCRCA12CA1
SCHEMBL697263 0.77 ABL1 (0.57) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL197522 0.76 CA1 (0.79) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL6733562 0.76 CA1 (0.79) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9151672 0.76 CA1 (0.79) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL7703852 0.76 GSTP1 (0.48) NPC1RAB9ASMN1; SMN2MAOBERN1
SCHEMBL15971374 0.75 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TP53MAPK1

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-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed