SCHEMBL24286461

SCHEMBL24286461

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3cccc(C(F)F)c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.51
▸ PKLR P30613 1/20 0.51
▸ RORC P51449 16/20 0.51
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ NR1I2 O75469 2/20 0.44
▸ RORA P35398 1/20 0.43
▸ RORB Q92753 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL24286234 0.93 RORC (0.56) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286390 0.91 PKM (0.57) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286486 0.89 RORC (0.64) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286431 0.87 RORC (0.62) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286391 0.86 PKM (0.53) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286728 0.86 PKM (0.53) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286198 0.86 RORC (0.63) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286545 0.85 RORC (0.62) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286701 0.85 PKM (0.53) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286727 0.85 PKM (0.53) PKMPKLRRORCCYP11B1CYP11B2

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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