SCHEMBL8525355

SCHEMBL8525355

CCCCCCN1C(=O)CCC(C)(C)c2cc(-c3csc(-c4ccncc4)n3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.45
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
DUSP3 P51452 1/20 0.43
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8525387 0.99 CYP19A1 (0.44) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8525130 0.96 CDC25A (0.44) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524191 0.93 CDC25A (0.46) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524156 0.89 CDC25A (0.45) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524322 0.84 CDC25A (0.49) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8525207 0.79 KDM4E (0.42) CYP19A1CDC25ACDC25BCDC25CDUSP3
Hydrochloric Acid SCHEMBL8524982 0.79 CDC25A (0.49) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524583 0.72 CDC25A (0.44) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8524057 0.72 CDC25A (0.47) CYP19A1CDC25ACDC25BCDC25CDUSP3
SCHEMBL8525405 0.71 CDC25A (0.51) 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