SCHEMBL24286571

SCHEMBL24286571

O=S(=O)(c1cccc(OC(F)F)c1)N1CCOc2ccc(-c3cc(F)ccc3F)cc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.47
▸ NR1I2 O75469 5/20 0.45
▸ CPT2 P23786 2/20 0.43
▸ CPT1A P50416 2/20 0.43
▸ CPT1B Q92523 1/20 0.43
▸ RORA P35398 1/20 0.42
▸ RORB Q92753 1/20 0.42
▸ HTR6 P50406 1/20 0.40
▸ KDM2B Q8NHM5 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
SCHEMBL24286598 0.89 RORC (0.49) RORCNR1I2CPT2CPT1ACPT1B
SCHEMBL24286490 0.86 RORC (0.49) RORCNR1I2CPT2CPT1ACPT1B
SCHEMBL24286684 0.86 RORC (0.55) RORCNR1I2RORARORB
SCHEMBL24286447 0.84 CPT1A (0.51) RORCNR1I2CPT2CPT1ACPT1B
SCHEMBL24286712 0.84 RORC (0.50) RORCNR1I2CPT2CPT1ACPT1B
SCHEMBL18312294 0.83 RORC (0.64) RORCNR1I2
SCHEMBL24286363 0.82 RORC (0.49) RORCNR1I2CPT2CPT1ACPT1B
SCHEMBL24840211 0.82 RORC (0.59) RORCNR1I2RORARORBHTR6
SCHEMBL24286298 0.80 ALDH1A1 (0.49) RORC
SCHEMBL24840258 0.80 RORC (0.57) RORCNR1I2CPT2CPT1ACPT1B

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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