SCHEMBL8524006

SCHEMBL8524006

CCC1CCC(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
MMP12 P39900 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
CYP19A1 P11511 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CDK5 Q00535 4/20 0.41
CDK5R1 Q15078 4/20 0.41
LMNA P02545 2/20 0.39
AR P10275 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 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
SCHEMBL8484612 0.87 RAB9A (0.47) RAB9AMAPTNPC1MMP12SMN1; SMN2
SCHEMBL8525270 0.77 SMN1; SMN2 (0.70) RAB9AMAPTNPC1MMP12SMN1; SMN2
SCHEMBL8523920 0.77 CDC25A (0.42) RAB9AMAPTNPC1SMN1; SMN2CYP19A1
SCHEMBL8524764 0.76 CYP19A1 (0.45) RAB9AMAPTNPC1MMP12SMN1; SMN2
SCHEMBL8525368 0.76 SMN1; SMN2 (0.60) RAB9AMAPTNPC1MMP12SMN1; SMN2
SCHEMBL8524059 0.74 RAB9A (0.49) RAB9AMAPTNPC1MMP12SMN1; SMN2
SCHEMBL8480061 0.74 PDE3B (0.68) RAB9AMAPTNPC1MMP12SMN1; SMN2
SCHEMBL8524263 0.72 RAB9A (0.51) RAB9AMAPTNPC1MMP12SMN1; SMN2
SCHEMBL8525338 0.69 CYP19A1 (0.45) RAB9AMAPTNPC1SMN1; SMN2CYP19A1
SCHEMBL16090337 0.68 MAPT (0.51) RAB9AMAPTNPC1MMP12SMN1; 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