SCHEMBL30485940

SCHEMBL30485940

CCS(=O)(=O)c1ccc([C@H](CO)NC(=O)c2cccc(F)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.55
▸ LMNA P02545 1/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ ROCK1 Q13464 2/20 0.43

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
SCHEMBL30065087 0.87 RORC (0.54) RORCROCK2ROCK1
SCHEMBL30065136 0.84 RORC (0.53) RORCLMNAROCK2ROCK1
SCHEMBL30485945 0.84 RORC (0.53) RORCLMNAROCK2ROCK1
SCHEMBL30065086 0.83 RORC (0.51) RORCLMNA
SCHEMBL30065584 0.81 RORC (0.55) RORC
SCHEMBL29488682 0.78 RORC (0.53) RORC
SCHEMBL29488669 0.77 RORC (0.52) RORC
SCHEMBL29488674 0.77 RORC (0.52) RORC
SCHEMBL17711672 0.77 RORC (0.59) RORC
SCHEMBL17711732 0.77 RORC (0.59) RORC

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
CN-113912597-B ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2023-06-13 — — CN disclosed
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