SCHEMBL8306742

SCHEMBL8306742

COc1ccc(-c2ccc(Cl)[c]c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 2/20 0.40
ESR2 Q92731 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL17514697 0.84 ABL1 (0.44) ABL1ABCB1BCRCYP1A2CYP2D6
SCHEMBL7703851 0.79 GSTP1 (0.49) SMN1; SMN2CA1CA2KMT2A
SCHEMBL1646823 0.74 ABL1 (0.50) ABL1ABCB1BCRSMN1; SMN2CA12
SCHEMBL456350 0.74 CYP2A6 (0.44) SMN1; SMN2KDM4ECYP1A2ESR2KMT2A
SCHEMBL4587186 0.71 GCGR (0.43) ABL1ABCB1BCRCA12CA1
SCHEMBL8306743 0.71 NPC1 (0.53) APPABL1ABCB1BCRSMN1; SMN2
SCHEMBL15063567 0.69 ESR2 (0.47) APPABL1ABCB1BCRSMN1; SMN2
SCHEMBL19357316 0.69 CA12 (0.55) APPABL1ABCB1BCRSMN1; SMN2
SCHEMBL4820209 0.68 ABL1 (0.47) APPABL1ABCB1BCRSMN1; SMN2
SCHEMBL4283008 0.68 HPGDS (0.38) PTGS2

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