SCHEMBL7960290

SCHEMBL7960290

Cc1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
DGAT1 O75907 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TOP1 P11387 2/20 0.33
TOP2A P11388 2/20 0.33
HSD17B10 Q99714 2/20 0.33
F9 P00740 1/20 0.33
F10 P00742 1/20 0.33
F11 P03951 1/20 0.33
MITF O75030 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
ATR Q13535 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL7973155 0.90 F9 (0.39) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7972135 0.89 PDE10A (0.37) NPC1RAB9ADGAT1KCNH2SMN1; SMN2
SCHEMBL7970581 0.89 F9 (0.40) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10140044 0.89 HSD17B1 (0.37) KCNH2ATRMAPTTDO2
SCHEMBL10140046 0.88 KDM4E (0.43) NPC1RAB9ADGAT1KCNH2ALDH1A1
SCHEMBL10140038 0.88 KIT (0.37) NPC1RAB9ADGAT1SOAT1KCNH2
SCHEMBL7971397 0.88 ALDH1A1 (0.39) NPC1RAB9APKMALDH1A1HPGD
SCHEMBL7960814 0.88 NPC1 (0.39) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL7970587 0.88 TOP1 (0.34) DGAT1SOAT1KCNH2ALDH1A1HPGD
SCHEMBL7970061 0.88 GUSB (0.39) NPC1RAB9AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed