SCHEMBL28455392

SCHEMBL28455392

C[C](C)C[C@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(OC(F)F)c3)cnc2O1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.65
▸ NR1I2 O75469 3/20 0.65
▸ RORA P35398 1/20 0.65
▸ RORB Q92753 1/20 0.65

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
SCHEMBL28455348 0.90 RORC (0.67) RORCNR1I2RORARORB
SCHEMBL24840409 0.82 RORC (0.83) RORCNR1I2RORARORB
SCHEMBL28979128 0.82 RORC (0.83) RORCNR1I2RORARORB
SCHEMBL30110872 0.82 RORC (0.83) RORCNR1I2RORARORB
SCHEMBL24839974 0.81 RORC (0.67) RORCNR1I2RORARORB
SCHEMBL24839973 0.80 RORC (0.58) RORCNR1I2RORARORB
SCHEMBL21312626 0.80 RORC (0.85) RORCNR1I2RORARORB
Cintirorgon SCHEMBL20957370 0.79 RORC (1.00) RORCNR1I2RORARORB
Cintirorgon SCHEMBL18302870 0.79 RORC (1.00) RORCNR1I2RORARORB
Cintirorgon SCHEMBL29379832 0.79 RORC (1.00) 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
CN-111499591-A ROR gamma modulators 山东轩竹医药科技有限公司 2020-08-07 — — CN disclosed
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