SCHEMBL24286458

SCHEMBL24286458

O=S(=O)(c1cc(F)cc(C(F)(F)F)c1)N1CCOc2ccc(-c3cc(F)ccc3F)cc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 16/20 0.52
▸ NR1I2 O75469 1/20 0.49
▸ NR1H3 Q13133 2/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ CPT2 P23786 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ CPT1B Q92523 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ PKLR P30613 1/20 0.37
▸ HTR6 P50406 1/20 0.37

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 0.90 RORC (0.64) RORCNR1I2PKMPKLR
SCHEMBL24286730 0.88 RORC (0.50) RORCNR1I2NR1H3NR1H2
SCHEMBL24286481 0.83 RORC (0.57) RORCNR1I2NR1H3PKMPKLR
SCHEMBL24286517 0.83 RORC (0.47) RORCNR1I2NR1H3NR1H2CPT2
SCHEMBL24286464 0.82 RORC (0.55) RORCNR1I2NR1H3NR1H2PKM
SCHEMBL24286470 0.81 RORC (0.55) RORCNR1I2NR1H3NR1H2PKM
SCHEMBL24286212 0.81 RORC (0.55) RORCNR1I2PKMPKLR
SCHEMBL24286199 0.81 RORC (0.55) RORCNR1I2CPT2CPT1ACPT1B
SCHEMBL24286607 0.80 RORC (0.55) RORCNR1I2PKMPKLR
SCHEMBL24286178 0.80 RORC (0.57) 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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