SCHEMBL24286255

SCHEMBL24286255

COc1cncc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.45
▸ PKM P14618 1/20 0.45
▸ PKLR P30613 1/20 0.45
▸ CYP11B2 P19099 2/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ NTRK1 P04629 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
SCHEMBL24286258 0.91 PKM (0.47) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286559 0.87 PKM (0.45) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286496 0.85 RORC (0.54) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286396 0.84 RORC (0.49) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286842 0.83 RORC (0.45) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286236 0.83 PKM (0.52) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286519 0.83 PKM (0.49) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286233 0.82 CYP11B1 (0.53) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286219 0.82 RORC (0.56) RORCPKMPKLRCYP11B2CYP11B1
SCHEMBL24286347 0.82 RORC (0.64) RORCPKMPKLRCYP11B2CYP11B1

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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