SCHEMBL8524544

SCHEMBL8524544

CC(C)N1C(=O)CCC(C)(C)c2cc(-c3csc(-c4ccnc(Cl)c4)n3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
CDC25A P30304 3/20 0.38
CDC25B P30305 3/20 0.38
CDC25C P30307 3/20 0.38
DUSP3 P51452 3/20 0.38
BACE1 P56817 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
SREBF2 Q12772 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
INSR P06213 1/20 0.35
MET P08581 1/20 0.35
SREBF1 P36956 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL8525207 0.88 KDM4E (0.42) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524782 0.88 CYP19A1 (0.48) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524913 0.85 CDC25A (0.36) CDC25ACDC25BCDC25CDUSP3BACE1
SCHEMBL8525200 0.84 BACE1 (0.35) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8523780 0.78 CYP19A1 (0.48) CYP19A1CDK5CDK5R1SREBF2MAPT
SCHEMBL8524649 0.78 RARA (0.44) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524244 0.75 CDK5 (0.38) CYP19A1CDK5CDK5R1KDM4E
SCHEMBL8524322 0.75 CDC25A (0.49) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524583 0.74 CDC25A (0.44) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8485341 0.73 CDC25A (0.43) CYP19A1CDC25ACDC25BCDC25CDUSP3

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