SCHEMBL24286396

SCHEMBL24286396

COc1cc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)ccn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.49
▸ PKM P14618 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ GPR142 Q7Z601 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ NR1I2 O75469 1/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORB Q92753 1/20 0.41

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
SCHEMBL24286842 0.89 RORC (0.45) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286633 0.88 PKM (0.51) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286219 0.86 RORC (0.56) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286232 0.86 RORC (0.51) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286258 0.86 PKM (0.47) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286347 0.85 RORC (0.64) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286755 0.85 RORC (0.59) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286727 0.85 PKM (0.53) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286390 0.85 PKM (0.57) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286391 0.84 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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