SCHEMBL24286496

SCHEMBL24286496

COc1cncc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.54
▸ CYP11B1 P15538 3/20 0.49
▸ CYP11B2 P19099 3/20 0.49
▸ PKM P14618 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ NR1I2 O75469 1/20 0.44
▸ RORA P35398 1/20 0.44
▸ RORB Q92753 1/20 0.44
▸ KMT2A Q03164 1/20 0.41
▸ PAX8 Q06710 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
SCHEMBL24286755 0.90 RORC (0.59) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286347 0.90 RORC (0.64) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286233 0.89 CYP11B1 (0.53) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286219 0.89 RORC (0.56) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286172 0.87 RORC (0.66) RORCPKMPKLRNPC1NR1I2
SCHEMBL24286631 0.86 RORC (0.55) RORCPKMPKLRNPC1NR1I2
SCHEMBL24286255 0.85 RORC (0.45) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286442 0.84 RORC (0.55) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286390 0.84 PKM (0.57) RORCCYP11B1CYP11B2PKMPKLR
SCHEMBL24286232 0.84 RORC (0.51) RORCCYP11B1CYP11B2PKMPKLR

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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