SCHEMBL24286803

SCHEMBL24286803

Cc1cc(F)cc(-c2cc(F)c3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.49
▸ HTR6 P50406 3/20 0.44
▸ PKM P14618 1/20 0.42
▸ PKLR P30613 1/20 0.42
▸ NR1I2 O75469 1/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ NR1H3 Q13133 1/20 0.40

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 0.93 RORC (0.52) RORCHTR6PKMPKLRNR1I2
SCHEMBL24286877 0.91 RORC (0.47) RORCHTR6PKMPKLRNR1I2
SCHEMBL24286649 0.87 RORC (0.56) RORCPKMPKLRNR1I2RORA
SCHEMBL24286807 0.85 RORC (0.60) RORCNR1I2RORARORB
SCHEMBL24286437 0.85 RORC (0.69) RORCNR1I2RORARORB
SCHEMBL24287052 0.85 RORC (0.49) RORCHTR6PKMPKLRNR1I2
SCHEMBL24286445 0.84 RORC (0.54) RORCHTR6PKMPKLRNR1I2
SCHEMBL24286226 0.84 RORC (0.51) RORCHTR6PKMPKLR
SCHEMBL24286434 0.84 RORC (0.55) RORCHTR6PKMPKLRNR1I2
SCHEMBL24286552 0.83 RORC (0.44) RORCHTR6PKMPKLRNR1H3

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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