SCHEMBL21620065

SCHEMBL21620065

CCS(=O)(=O)c1ccc([C@H](CO)C(=O)Nc2ccc(N3CCN(C)C(c4ccc(C(F)(F)F)cc4)C3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.46
▸ KCNH2 Q12809 2/20 0.45
▸ LDHA P00338 1/20 0.45
▸ LDHB P07195 1/20 0.45
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ RORA P35398 3/20 0.43
▸ EPHX2 P34913 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
SCHEMBL21619740 0.89 SMN1; SMN2 (0.46) RORCKCNH2CA1CA2CA7
SCHEMBL21619935 0.87 RORC (0.47) RORCKCNH2LDHALDHBCA1
SCHEMBL21620055 0.86 RORC (0.46) RORCKCNH2LDHALDHBRORA
SCHEMBL21619864 0.85 RORC (0.47) RORC
SCHEMBL21620059 0.84 RORC (0.59) RORCCA1CA2CA7
SCHEMBL21619710 0.84 RORC (0.59) RORCCA1CA2CA7
SCHEMBL21619978 0.82 RORC (0.41) RORCCA1CA2CA7
SCHEMBL21619610 0.78 RORC (0.52) RORCCA1CA2CA7EPHX2
SCHEMBL21619717 0.78 RORC (0.52) RORCCA1CA2CA7EPHX2
SCHEMBL28537438 0.78 NR1H2 (0.43) —

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
WO-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 — — WO disclosed
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