SCHEMBL8523719

SCHEMBL8523719

Cc1c(-c2csc(-c3ccncc3)n2)ccc2c1CCCC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 12/20 0.44
CDK5R1 Q15078 12/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CYP19A1 P11511 2/20 0.40
MAPT P10636 2/20 0.40
MMP12 P39900 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
AR P10275 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
SCHEMBL8523935 0.82 NPC1 (0.44) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL8525368 0.76 SMN1; SMN2 (0.60) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL8523986 0.75 CDK5 (0.40) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL8525110 0.74 CDK5 (0.42) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL8525270 0.71 SMN1; SMN2 (0.70) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL8524484 0.69 KDM4E (0.40) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL8484612 0.69 RAB9A (0.47) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL8524764 0.69 CYP19A1 (0.45) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL5902599 0.69 CDK5 (0.60) CDK5CDK5R1RAB9ANPC1SMN1; SMN2
SCHEMBL16132462 0.68 MAPT (0.46) RAB9ANPC1MAPTKMT2AMEN1

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-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed