SCHEMBL24840402

SCHEMBL24840402

O=S(=O)(c1ccc(Br)cc1)N1CCOc2ccc(-c3cc(F)cc(OC(F)F)c3)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.51
▸ NR1I2 O75469 3/20 0.46
▸ RORA P35398 1/20 0.46
▸ RORB Q92753 1/20 0.46
▸ NPC1 O15118 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39

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
SCHEMBL24840251 0.93 RORC (0.53) RORCNR1I2RORARORBNPC1
SCHEMBL24839751 0.91 RORC (0.51) RORCNR1I2RORARORBNPC1
SCHEMBL24839958 0.91 CYP2C9 (0.52) RORCNR1I2RORARORBNPC1
SCHEMBL24840240 0.90 RORC (0.57) RORCNR1I2RORARORB
SCHEMBL24840418 0.88 RORC (0.49) RORCNR1I2RORARORBNPC1
SCHEMBL24840212 0.88 RORC (0.49) RORCNR1I2RORARORBNPC1
SCHEMBL24840211 0.87 RORC (0.59) RORCNR1I2RORARORB
SCHEMBL24287236 0.85 RORC (0.61) RORCNR1I2RORARORB
SCHEMBL24840258 0.85 RORC (0.57) RORCNR1I2RORARORB
SCHEMBL24839969 0.85 RORC (0.57) RORCNR1I2RORARORB

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
WO-2023274396-A1 BENZAZEPINE HETEROCYCLIC COMPOUND AND APPLICATION THEREOF IN MEDICINE 广东东阳光药业有限公司 2023-01-05 — — WO disclosed
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