SCHEMBL24286223

SCHEMBL24286223

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2ccc(-c3ccc(F)c(Cl)c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.53
▸ PKLR P30613 1/20 0.53
▸ RORC P51449 18/20 0.53
▸ CPT2 P23786 1/20 0.47
▸ CPT1A P50416 1/20 0.47
▸ CPT1B Q92523 1/20 0.47

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
SCHEMBL24286382 0.92 PKM (0.55) PKMPKLRRORC
SCHEMBL24286545 0.91 RORC (0.62) PKMPKLRRORCCPT2CPT1A
SCHEMBL24286701 0.91 PKM (0.53) PKMPKLRRORC
SCHEMBL24286198 0.90 RORC (0.63) PKMPKLRRORCCPT2CPT1A
SCHEMBL24287078 0.90 RORC (0.56) PKMPKLRRORCCPT2CPT1A
SCHEMBL24286699 0.90 PKM (0.53) PKMPKLRRORC
SCHEMBL24286632 0.89 PKM (0.52) PKMPKLRRORC
SCHEMBL24286390 0.89 PKM (0.57) PKMPKLRRORC
SCHEMBL24286804 0.89 RORC (0.54) PKMPKLRRORCCPT2CPT1A
SCHEMBL24286476 0.88 PKM (0.55) PKMPKLRRORCCPT2CPT1A

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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