SCHEMBL24286281

SCHEMBL24286281

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2cc(Cl)c(-c3cccc(F)c3F)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.49
▸ PKLR P30613 2/20 0.49
▸ RORC P51449 14/20 0.48
▸ NR1H3 Q13133 2/20 0.44
▸ NR1H2 P55055 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CPT2 P23786 1/20 0.40
▸ CPT1A P50416 1/20 0.40
▸ CPT1B Q92523 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL24286278 0.94 RORC (0.51) PKMPKLRRORCNR1H3NR1H2
SCHEMBL24286427 0.86 PKM (0.50) PKMPKLRRORCNR1H3NR1H2
SCHEMBL24287119 0.85 PKM (0.49) PKMPKLRRORCNR1H3NR1H2
SCHEMBL24286222 0.85 RORC (0.53) PKMPKLRRORC
SCHEMBL24286273 0.84 RORC (0.51) PKMPKLRRORCNR1H3CPT2
SCHEMBL24286271 0.82 PKM (0.54) PKMPKLRRORCNR1H3NR1H2
SCHEMBL24286917 0.82 PKM (0.46) PKMPKLRRORCNR1H3NR1H2
SCHEMBL24286337 0.81 RORC (0.65) PKMPKLRRORC
SCHEMBL24286493 0.81 RORC (0.63) PKMPKLRRORC
SCHEMBL24286699 0.80 PKM (0.53) PKMPKLRRORCNPC1RAB9A

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
Send feedback