SCHEMBL24286385

SCHEMBL24286385

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3cccnc3-c3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.49
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ NR1H3 Q13133 1/20 0.44

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
SCHEMBL24286247 0.89 PKM (0.48) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286615 0.88 RORC (0.50) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286510 0.87 RORC (0.46) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286671 0.85 PKM (0.52) RORCPKMPKLRNR1H3
SCHEMBL24286390 0.84 PKM (0.57) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286679 0.84 PKM (0.46) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286399 0.84 RORC (0.53) RORCPKMPKLRNR1H3
SCHEMBL24286206 0.84 RORC (0.64) RORCPKMPKLRNR1H3
SCHEMBL24286698 0.84 RORC (0.53) RORCPKMPKLR
SCHEMBL24286389 0.83 PKM (0.50) 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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