SCHEMBL8523780

SCHEMBL8523780

CC1(C)CCC(=O)Nc2ccc(-c3csc(-c4ccnc(Cl)c4)n3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
MAPT P10636 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MMP12 P39900 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
SREBF2 Q12772 8/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
SREBF1 P36956 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8524612 0.82 CYP19A1 (0.54) CYP19A1MAPTNPC1RAB9AALDH1A1
SCHEMBL8524544 0.78 CYP19A1 (0.44) CYP19A1MAPTSREBF2CDK5CDK5R1
SCHEMBL8525110 0.73 CDK5 (0.42) CYP19A1MAPTNPC1RAB9AMMP12
SCHEMBL8524764 0.72 CYP19A1 (0.45) CYP19A1MAPTNPC1RAB9AMMP12
SCHEMBL8525270 0.69 SMN1; SMN2 (0.70) CYP19A1MAPTNPC1RAB9AMMP12
SCHEMBL8525368 0.67 SMN1; SMN2 (0.60) CYP19A1MAPTNPC1RAB9AMMP12
SCHEMBL15682858 0.66 AHR (0.54) CYP19A1MAPTNPC1RAB9AMMP12
SCHEMBL2015591 0.66 RARA (0.44)
SCHEMBL8484612 0.66 RAB9A (0.47) CYP19A1MAPTNPC1RAB9AMMP12
SCHEMBL8524322 0.66 CDC25A (0.49) CYP19A1NPC1RAB9APOLBSMN1; SMN2

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