SCHEMBL24287165

SCHEMBL24287165

COc1cccc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)c1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 17/20 0.47
▸ PKM P14618 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NR1I2 O75469 1/20 0.42

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
SCHEMBL24286530 0.93 RORC (0.51) RORCPKMPKLRLMNATSHR
SCHEMBL24286641 0.90 RORC (0.55) RORCPKMPKLRKMT2A
SCHEMBL24286546 0.86 RORC (0.51) RORCPKMPKLRNR1I2
SCHEMBL24286392 0.86 CYP3A4 (0.51) RORCPKMPKLRKMT2A
SCHEMBL24286265 0.86 RORC (0.49) RORCPKMPKLRPOLBNR1I2
SCHEMBL24286587 0.86 RORC (0.51) RORCPKMPKLRNR1I2
SCHEMBL24286832 0.85 PKM (0.50) RORCPKMPKLRKMT2APOLB
SCHEMBL24286698 0.84 RORC (0.53) RORCPKMPKLR
SCHEMBL24286206 0.84 RORC (0.64) RORCPKMPKLRKMT2A
SCHEMBL24286219 0.84 RORC (0.56) RORCPKMPKLRLMNATSHR

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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