SCHEMBL8524764

SCHEMBL8524764

CCCC1(CCC)CCC(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.45
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
MMP12 P39900 1/20 0.44
CDK5 Q00535 5/20 0.44
CDK5R1 Q15078 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
CDC25C P30307 1/20 0.41
DUSP3 P51452 1/20 0.41
LMNA P02545 2/20 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
SCHEMBL8524583 0.78 CDC25A (0.44) CYP19A1RAB9ANPC1CDK5CDK5R1
SCHEMBL8525270 0.77 SMN1; SMN2 (0.70) CYP19A1RAB9AMAPTNPC1MMP12
SCHEMBL8524006 0.76 RAB9A (0.44) CYP19A1RAB9AMAPTNPC1MMP12
SCHEMBL8525368 0.76 SMN1; SMN2 (0.60) CYP19A1RAB9AMAPTNPC1MMP12
SCHEMBL8484612 0.74 RAB9A (0.47) CYP19A1RAB9AMAPTNPC1MMP12
SCHEMBL8524612 0.74 CYP19A1 (0.54) CYP19A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL8480061 0.74 PDE3B (0.68) CYP19A1RAB9AMAPTNPC1MMP12
SCHEMBL8523780 0.72 CYP19A1 (0.48) CYP19A1RAB9AMAPTNPC1MMP12
SCHEMBL8524263 0.72 RAB9A (0.51) CYP19A1RAB9AMAPTNPC1MMP12
SCHEMBL8525110 0.71 CDK5 (0.42) CYP19A1RAB9AMAPTNPC1MMP12

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