SCHEMBL22626591

SCHEMBL22626591

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 6/20 0.34
▸ CDK2 P24941 6/20 0.34
▸ CCNA1 P78396 6/20 0.34
▸ ADRA2A P08913 2/20 0.33
▸ ADRA2C P18825 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ TGFBR1 P36897 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3R2 O00459 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3R5 Q8WYR1 1/20 0.30
▸ PIK3R3 Q92569 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
SCHEMBL16333609 0.94 CCNA2 (0.39) CCNA2CDK2CCNA1ADRA2AADRA2C
SCHEMBL22626408 0.93 CCNA2 (0.40) CCNA2CDK2CCNA1
SCHEMBL22626261 0.92 CCNA2 (0.32) CCNA2CDK2CCNA1ADRA2AADRA2C
SCHEMBL16339912 0.90 CCNA2 (0.42) CCNA2CDK2CCNA1
SCHEMBL17783213 0.90 CCNA2 (0.37) CCNA2CDK2CCNA1ADRA2AADRA2C
SCHEMBL20580158 0.89 PIK3CD (0.37) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377780 0.89 PIK3CD (0.45) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL16377688 0.89 PDE7A (0.30) —
SCHEMBL22626643 0.88 CCNA2 (0.35) CCNA2CDK2CCNA1ADRA2AADRA2C
SCHEMBL16377982 0.88 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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