SCHEMBL8524244

SCHEMBL8524244

Cc1cc2c(cc1-c1csc(-c3ccncc3)n1)C(C)(C)CCC(=O)N2C(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 14/20 0.38
CDK5R1 Q15078 14/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 2/20 0.35
CYP17A1 P05093 1/20 0.35
RXRA P19793 1/20 0.34

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
SCHEMBL8525207 0.87 KDM4E (0.42) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8525334 0.82 CDK5 (0.39) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8525110 0.78 CDK5 (0.42) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8524649 0.77 RARA (0.44) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8524322 0.75 CDC25A (0.49) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8524544 0.75 CYP19A1 (0.44) CDK5CDK5R1KDM4ECYP19A1
SCHEMBL8523986 0.75 CDK5 (0.40) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8524782 0.74 CYP19A1 (0.48) CDK5CDK5R1NPC1RAB9ASMN1; SMN2
SCHEMBL8524583 0.73 CDC25A (0.44) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8524156 0.73 CDC25A (0.45) CDK5CDK5R1KDM4ENPC1RAB9A

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