SCHEMBL24286442

SCHEMBL24286442

CCOc1cccc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.55
▸ PKM P14618 1/20 0.48
▸ PKLR P30613 1/20 0.48
▸ NR1I2 O75469 2/20 0.47
▸ RORA P35398 1/20 0.47
▸ RORB Q92753 1/20 0.47
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ NPSR1 Q6W5P4 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
SCHEMBL24840223 0.91 RORC (0.58) RORCNR1I2RORARORB
SCHEMBL24286583 0.90 RORC (0.55) RORCPKMPKLRNR1I2RORA
SCHEMBL24286347 0.90 RORC (0.64) RORCPKMPKLRNR1I2RORA
SCHEMBL24286473 0.88 RORC (0.55) RORCPKMPKLRNR1I2RORA
SCHEMBL24286390 0.88 PKM (0.57) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286376 0.88 RORC (0.57) RORCPKMPKLRNR1I2RORA
SCHEMBL24286242 0.86 RORC (0.66) RORCPKMPKLRNR1I2RORA
SCHEMBL24286755 0.86 RORC (0.59) RORCPKMPKLRNR1I2RORA
SCHEMBL24286720 0.86 RORC (0.50) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286391 0.85 PKM (0.53) RORCPKMPKLRCYP11B1CYP11B2

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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