SCHEMBL22607671

SCHEMBL22607671

COc1cc2c(cc1C1=CCCN(C)C1)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ EHMT2 Q96KQ7 1/20 0.30
▸ EHMT1 Q9H9B1 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
SCHEMBL22607660 0.90 CCNA2 (0.30) —
SCHEMBL22607632 0.90 EHMT2 (0.30) ABCB1EHMT2EHMT1
SCHEMBL17783221 0.89 CCNA2 (0.30) —
SCHEMBL16377785 0.86 EHMT2 (0.31) EHMT2EHMT1
SCHEMBL17783246 0.86 KMT2A (0.32) —
SCHEMBL22607652 0.86 ROCK2 (0.32) ABCB1
SCHEMBL16334004 0.85 CNR2 (0.33) —
SCHEMBL22607635 0.85 KMT2A (0.32) —
SCHEMBL22607647 0.85 USP30 (0.33) HTR2A
SCHEMBL22607667 0.85 CCNA2 (0.30) —

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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