SCHEMBL30485945

SCHEMBL30485945

CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.53
▸ LMNA P02545 2/20 0.50
▸ ROCK2 O75116 4/20 0.47
▸ ROCK1 Q13464 3/20 0.47
▸ PHGDH O43175 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL30065136 1.00 RORC (0.53) RORCLMNAROCK2ROCK1PHGDH
SCHEMBL30065071 0.85 RORC (0.56) RORCROCK2ROCK1PHGDHKMT2A
SCHEMBL23632705 0.85 RORC (0.56) RORCROCK2ROCK1PHGDHKMT2A
SCHEMBL23632706 0.85 RORC (0.56) RORCROCK2ROCK1PHGDHKMT2A
SCHEMBL30065065 0.84 RORC (0.56) RORCROCK2ROCK1
SCHEMBL30065079 0.84 RORC (0.51) RORCPHGDH
SCHEMBL30485940 0.84 RORC (0.55) RORCLMNAROCK2ROCK1
SCHEMBL30065092 0.80 KAT6A (0.50) RORCLMNAPHGDHKMT2AALDH1A1
SCHEMBL28708836 0.79 RORC (0.55) RORCROCK2ROCK1
SCHEMBL28708837 0.79 RORC (0.55) RORCROCK2ROCK1

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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