SCHEMBL24286226

SCHEMBL24286226

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2c(F)cc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.51
▸ HTR6 P50406 4/20 0.48
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ PKLR P30613 1/20 0.43
▸ CPT2 P23786 1/20 0.41
▸ CPT1A P50416 1/20 0.41
▸ CPT1B Q92523 1/20 0.41

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
SCHEMBL24286694 0.88 RORC (0.52) RORCHTR6CYP11B1CYP11B2PKM
SCHEMBL24286445 0.87 RORC (0.54) RORCHTR6CYP11B1CYP11B2PKM
SCHEMBL24286198 0.85 RORC (0.63) RORCHTR6CYP11B1CYP11B2PKM
SCHEMBL24286648 0.85 RORC (0.52) RORCHTR6PKMPKLR
SCHEMBL24286434 0.84 RORC (0.55) RORCHTR6PKMPKLR
SCHEMBL24286803 0.84 RORC (0.49) RORCHTR6PKMPKLR
SCHEMBL24286552 0.84 RORC (0.44) RORCHTR6CYP11B1CYP11B2PKM
SCHEMBL24286280 0.83 PKM (0.43) RORCHTR6CYP11B1CYP11B2PKM
SCHEMBL24287078 0.82 RORC (0.56) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286701 0.81 PKM (0.53) RORCCYP11B1CYP11B2PKMPKLR

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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