SCHEMBL24286671

SCHEMBL24286671

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.52
▸ PKLR P30613 1/20 0.52
▸ RORC P51449 18/20 0.51
▸ NR1H3 Q13133 1/20 0.46
▸ NR1I2 O75469 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
SCHEMBL24286379 0.92 RORC (0.51) PKMPKLRRORCNR1I2
SCHEMBL24286355 0.92 RORC (0.54) PKMPKLRRORCNR1I2
SCHEMBL24286470 0.90 RORC (0.55) PKMPKLRRORCNR1H3NR1I2
SCHEMBL24286399 0.89 RORC (0.53) PKMPKLRRORCNR1H3NR1I2
SCHEMBL24286206 0.89 RORC (0.64) PKMPKLRRORCNR1H3
SCHEMBL24286698 0.89 RORC (0.53) PKMPKLRRORC
SCHEMBL24286390 0.88 PKM (0.57) PKMPKLRRORCNR1H3
SCHEMBL24286827 0.88 RORC (0.49) PKMPKLRRORCNR1H3
SCHEMBL24286421 0.88 RORC (0.51) PKMPKLRRORC
SCHEMBL24286222 0.87 RORC (0.53) PKMPKLRRORCNR1I2

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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