SCHEMBL8304763

SCHEMBL8304763

Clc1ccc(-c2ncccc2[CH]Cc2ccccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
SYK P43405 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1I3 Q14994 1/20 0.38
MAPK1 P28482 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL8304764 0.75 KDM4E (0.46) NPC1RAB9ASMN1; SMN2MAPTSYK
SCHEMBL19154063 0.74 TRIM24 (0.47) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL19153926 0.74 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
Hydrazine SCHEMBL29217437 0.72 TRIM24 (0.44) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL3815268 0.71 HRH3 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3873496 0.71 HRH1 (0.44) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL8521451 0.70 KDM4E (0.50) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL2301022 0.69 DCTPP1 (0.48) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL27416808 0.68 CHRM5 (0.44) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL9514491 0.67 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1

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