SCHEMBL29488682

SCHEMBL29488682

CCS(=O)(=O)c1ccc(C(CO)NC(=O)c2ccc3[nH]cnc3c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 17/20 0.53
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL29488669 0.83 RORC (0.52) RORC
SCHEMBL29488674 0.83 RORC (0.52) RORC
SCHEMBL29488685 0.82 RORC (0.56) RORC
SCHEMBL30065087 0.79 RORC (0.54) RORC
SCHEMBL30065584 0.78 RORC (0.55) RORC
SCHEMBL30485940 0.78 RORC (0.55) RORC
SCHEMBL18477041 0.76 RORC (0.58) RORC
SCHEMBL30065086 0.76 RORC (0.51) RORC
SCHEMBL17711672 0.75 RORC (0.59) RORC
SCHEMBL17711732 0.75 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-114230523-A Benzimidazole derivatives as modulators of ROR-gamma 生命医药有限责任公司 2022-03-25 — — CN disclosed
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