SCHEMBL24286265

SCHEMBL24286265

COc1cc(F)cc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)c1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.49
▸ PKM P14618 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ NR1I2 O75469 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ RORA P35398 1/20 0.43
▸ RORB Q92753 1/20 0.43

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
SCHEMBL24286653 0.90 RORC (0.54) RORCNR1I2RORARORB
SCHEMBL24286212 0.89 RORC (0.55) RORCPKMPKLRNR1I2
SCHEMBL24286546 0.88 RORC (0.51) RORCPKMPKLRNR1I2RORA
SCHEMBL24286530 0.88 RORC (0.51) RORCPKMPKLRNR1I2POLB
SCHEMBL18312830 0.87 RORC (0.54) RORCPKMPKLRNR1I2
SCHEMBL24286443 0.87 RORC (0.53) RORCPKMPKLRNR1I2RORA
SCHEMBL24286722 0.86 RORC (0.51) RORCPKMPKLRNR1I2
SCHEMBL24287165 0.86 RORC (0.47) RORCPKMPKLRNR1I2POLB
SCHEMBL24286736 0.86 RORC (0.52) RORCPKMPKLR
SCHEMBL24286462 0.85 ALDH1A1 (0.47) RORCPKMPKLRPOLB

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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