SCHEMBL8524191

SCHEMBL8524191

CCCN1C(=O)CCC(C)(C)c2cc(-c3csc(-c4ccncc4)n3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.46
CDC25B P30305 3/20 0.46
CDC25C P30307 3/20 0.46
DUSP3 P51452 3/20 0.46
CYP19A1 P11511 9/20 0.41
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.38
AR P10275 2/20 0.38
TRIM24 O15164 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
KMT2A Q03164 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
SCHEMBL8525130 0.94 CDC25A (0.44) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8525387 0.94 CYP19A1 (0.44) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8525355 0.93 CYP19A1 (0.45) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8524156 0.92 CDC25A (0.45) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8524322 0.87 CDC25A (0.49) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8525207 0.82 KDM4E (0.42) CDC25ACDC25BCDC25CDUSP3CYP19A1
Hydrochloric Acid SCHEMBL8524982 0.76 CDC25A (0.49) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8524583 0.75 CDC25A (0.44) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8524057 0.74 CDC25A (0.47) CDC25ACDC25BCDC25CDUSP3CYP19A1
SCHEMBL8524649 0.74 RARA (0.44) CDC25ACDC25BCDC25CDUSP3CYP19A1

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