SCHEMBL8525624

SCHEMBL8525624

CC(C)N1C(=O)CCCc2cc(-c3csc(-c4ccncc4)n3)c(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 17/20 0.41
CDK5R1 Q15078 17/20 0.41
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL8525334 0.90 CDK5 (0.39) CDK5CDK5R1RAB9ASMN1; SMN2NPC1
SCHEMBL8525097 0.85 CDC25A (0.46) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8523986 0.79 CDK5 (0.40) CDK5CDK5R1RAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8524829 0.77 CYP19A1 (0.48) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8524484 0.76 KDM4E (0.40) CDK5CDK5R1RAB9ASMN1; SMN2NPC1
SCHEMBL8484367 0.76 CDC25A (0.48) CDK5CDK5R1RAB9ASMN1; SMN2CASP3
SCHEMBL8636852 0.74 CDC25A (0.57) RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8480593 0.74 CDC25A (0.43) RAB9ASMN1; SMN2CASP3NPC1MAPT
SCHEMBL8524902 0.73 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL8483824 0.73 CDC25A (0.56) RAB9ASMN1; SMN2NPC1KDM4E

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