SCHEMBL8525334

SCHEMBL8525334

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 14/20 0.39
CDK5R1 Q15078 14/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 2/20 0.37
CYP17A1 P05093 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL8525624 0.90 CDK5 (0.41) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8525097 0.85 CDC25A (0.46) KDM4ENPC1RAB9ASMN1; SMN2CYP19A1
SCHEMBL8523986 0.83 CDK5 (0.40) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8524244 0.82 CDK5 (0.38) CDK5CDK5R1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL8524829 0.81 CYP19A1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2CYP19A1
SCHEMBL8524484 0.80 KDM4E (0.40) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8484367 0.76 CDC25A (0.48) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8523935 0.76 NPC1 (0.44) CDK5CDK5R1KDM4ENPC1RAB9A
SCHEMBL8636852 0.74 CDC25A (0.57) KDM4ENPC1RAB9ASMN1; SMN2CYP19A1
SCHEMBL8480004 0.74 CDC25A (0.43) KDM4ENPC1RAB9ASMN1; SMN2CYP19A1

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