SCHEMBL24286470

SCHEMBL24286470

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3cc(F)ccc3C(F)(F)F)cc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 19/20 0.55
▸ NR1I2 O75469 1/20 0.51
▸ PKM P14618 1/20 0.49
▸ PKLR P30613 1/20 0.49
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 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
SCHEMBL18312294 0.92 RORC (0.64) RORCNR1I2PKMPKLR
SCHEMBL24286426 0.90 RORC (0.65) RORCNR1I2PKMPKLR
SCHEMBL24286178 0.90 RORC (0.57) RORCNR1I2PKMPKLR
SCHEMBL24286464 0.90 RORC (0.55) RORCNR1I2PKMPKLRNR1H2
SCHEMBL24286671 0.90 PKM (0.52) RORCNR1I2PKMPKLRNR1H3
SCHEMBL24286544 0.88 RORC (0.57) RORCNR1I2PKMPKLR
SCHEMBL24286379 0.88 RORC (0.51) RORCNR1I2PKMPKLR
SCHEMBL24286431 0.88 RORC (0.62) RORCNR1I2PKMPKLR
SCHEMBL24286212 0.87 RORC (0.55) RORCNR1I2PKMPKLR
SCHEMBL24286632 0.86 PKM (0.52) RORCNR1I2PKMPKLR

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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