SCHEMBL22626368

SCHEMBL22626368

COc1cc2c(cc1C=C(C)C)-c1c(c(C(=O)NCCN(C(C)=O)C(O)(O)O)nn1-c1ccsc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.37
▸ NR1H4 Q96RI1 11/20 0.32
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 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
SCHEMBL24519307 0.95 RAD52 (0.37) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL22626394 0.90 NR1H4 (0.31) NR1H4
SCHEMBL17789663 0.89 RAD52 (0.37) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL16377982 0.89 RAD52 (0.37) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL16377775 0.89 RAD52 (0.36) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL22626617 0.88 NR1H4 (0.32) NR1H4
SCHEMBL16377938 0.87 RAD52 (0.35) RAD52NR1H4CCNA2CDK2CCNA1
SCHEMBL22626505 0.87 NR1H4 (0.38) RAD52NR1H4
SCHEMBL29670686 0.87 RAD52 (0.35) RAD52CCNA2CDK2CCNA1
SCHEMBL17783210 0.87 CCNA2 (0.33) RAD52CCNA2CDK2CCNA1

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
EP-3013832-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-04 — — EP disclosed
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