SCHEMBL24286552

SCHEMBL24286552

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2c(F)cc(-c3cccc(F)c3F)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.44
▸ PKM P14618 1/20 0.44
▸ PKLR P30613 1/20 0.44
▸ HTR6 P50406 3/20 0.43
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ NR1H3 Q13133 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
SCHEMBL24286648 0.92 RORC (0.52) RORCPKMPKLRHTR6
SCHEMBL24286694 0.87 RORC (0.52) RORCPKMPKLRHTR6CYP11B1
SCHEMBL24286434 0.87 RORC (0.55) RORCPKMPKLRHTR6
SCHEMBL24286222 0.86 RORC (0.53) RORCPKMPKLR
SCHEMBL24287126 0.86 RORC (0.41) RORCPKMPKLRHTR6
SCHEMBL24286280 0.84 PKM (0.43) RORCPKMPKLRHTR6CYP11B1
SCHEMBL24286226 0.84 RORC (0.51) RORCPKMPKLRHTR6CYP11B1
SCHEMBL24287052 0.83 RORC (0.49) RORCPKMPKLRHTR6
SCHEMBL24286803 0.83 RORC (0.49) RORCPKMPKLRHTR6NR1H3
SCHEMBL24286445 0.82 RORC (0.54) RORCPKMPKLRHTR6CYP11B1

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-3307738-B1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE UNIV MICHIGAN REGENTS (US) 2022-04-20 — — EP disclosed
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