SCHEMBL3425959

SCHEMBL3425959

CCOC(=O)Nc1[c]nccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NLRP3 Q96P20 2/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 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
SCHEMBL4985483 0.85 RAB9A (0.50) NPC1RAB9ASMN1; SMN2KDM4ECYP1A2
SCHEMBL5476348 0.84 POLB (0.34) NPC1RAB9ASMN1; SMN2KDM4EGLA
SCHEMBL5481582 0.84 POLB (0.34) NPC1RAB9ASMN1; SMN2KDM4EGLA
SCHEMBL3430680 0.83 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL12468731 0.79 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL1558873 0.78 NAMPT (0.45) NPC1RAB9APOLBLMNAKMT2A
SCHEMBL1906809 0.76 HSD17B10 (0.41) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL3428561 0.76 NPC1 (0.44) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL11546313 0.76 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EGLAPOLBCYP1A2
SCHEMBL1416126 0.74 HPGD (0.49) NPC1RAB9ASMN1; SMN2KDM4EGLA

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-2010146351-A1 INDOLYLMETHYL-MORPHOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-12-23 WO disclosed