SCHEMBL16340545

SCHEMBL16340545

CCCS(=O)(=O)c1cc2c(cc1OC)OCc1c(C(=O)O)nn(-c3ccsc3)c1-2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ PTAFR P25105 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL16339510 0.90 CCNA2 (0.34) CCNA2CDK2CCNA1
SCHEMBL16377792 0.88 CCNA2 (0.36) CCNA2CDK2CCNA1
SCHEMBL17783243 0.87 CCNA2 (0.35) CCNA2CDK2CCNA1
SCHEMBL16334446 0.85 PIK3CD (0.32) —
SCHEMBL16333638 0.84 CCNA2 (0.39) CCNA2CDK2CCNA1
SCHEMBL16333930 0.82 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL16377823 0.82 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL16377975 0.81 CCNA2 (0.36) CCNA2CDK2CCNA1
SCHEMBL16377700 0.81 CCNA2 (0.37) CCNA2CDK2CCNA1
SCHEMBL16333609 0.81 CCNA2 (0.39) CCNA2CDK2CCNA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013832-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF Merck Patent GmbH (DE) 2016-05-04 — — EP disclosed
WO-2014209980-A1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2014-12-31 — — WO disclosed
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