SCHEMBL22626261

SCHEMBL22626261

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

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL16333609 0.93 CCNA2 (0.39) CCNA2CDK2CCNA1ADRA2AADRA2C
SCHEMBL22626591 0.92 CCNA2 (0.34) CCNA2CDK2CCNA1ADRA2AADRA2C
SCHEMBL22626408 0.90 CCNA2 (0.40) CCNA2CDK2CCNA1
SCHEMBL17783213 0.89 CCNA2 (0.37) CCNA2CDK2CCNA1ADRA2AADRA2C
SCHEMBL16339912 0.87 CCNA2 (0.42) CCNA2CDK2CCNA1
SCHEMBL20580158 0.86 PIK3CD (0.37) —
SCHEMBL16377780 0.86 PIK3CD (0.45) —
SCHEMBL16377688 0.86 PDE7A (0.30) —
SCHEMBL16377775 0.85 RAD52 (0.36) CCNA2CDK2CCNA1
SCHEMBL16377982 0.85 RAD52 (0.37) CCNA2CDK2CCNA1ADRA2AADRA2C

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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