SCHEMBL24286445

SCHEMBL24286445

COc1cccc(-c2cc(F)c3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.54
▸ HTR6 P50406 2/20 0.46
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NR1I2 O75469 1/20 0.42
▸ RORA P35398 1/20 0.42
▸ RORB Q92753 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PKLR P30613 1/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL24286347 0.87 RORC (0.64) RORCCYP11B1CYP11B2NR1I2RORA
SCHEMBL24286226 0.87 RORC (0.51) RORCHTR6CYP11B1CYP11B2PKM
SCHEMBL24286694 0.87 RORC (0.52) RORCHTR6CYP11B1CYP11B2NR1I2
SCHEMBL24286807 0.85 RORC (0.60) RORCNR1I2RORARORB
SCHEMBL24286803 0.84 RORC (0.49) RORCHTR6NR1I2RORARORB
SCHEMBL24286437 0.84 RORC (0.69) RORCNR1I2RORARORB
SCHEMBL24286755 0.83 RORC (0.59) RORCCYP11B1CYP11B2NR1I2RORA
SCHEMBL24286552 0.82 RORC (0.44) RORCHTR6CYP11B1CYP11B2PKM
SCHEMBL24286172 0.82 RORC (0.66) RORCNR1I2RORARORBPKM
SCHEMBL24286280 0.81 PKM (0.43) RORCHTR6CYP11B1CYP11B2PKM

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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