SCHEMBL24286232

SCHEMBL24286232

COc1ccnc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.51
▸ PKM P14618 2/20 0.46
▸ PKLR P30613 2/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ RORA P35398 1/20 0.40
▸ RORB Q92753 1/20 0.40

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
SCHEMBL24286654 0.90 PKM (0.51) RORCPKMPKLRCYP11B1CYP11B2
SCHEMBL24286347 0.88 RORC (0.64) RORCPKMPKLRNPC1CYP11B1
SCHEMBL24286219 0.87 RORC (0.56) RORCPKMPKLRNPC1CYP11B1
SCHEMBL24286396 0.86 RORC (0.49) RORCPKMPKLRNPC1CYP11B1
SCHEMBL24286755 0.86 RORC (0.59) RORCPKMPKLRNPC1CYP11B1
SCHEMBL24286269 0.85 RORC (0.47) RORCPKMPKLRNPC1KMT2A
SCHEMBL24286258 0.84 PKM (0.47) RORCPKMPKLRNPC1CYP11B1
SCHEMBL24286842 0.84 RORC (0.45) RORCPKMPKLRNPC1CYP11B1
SCHEMBL24286496 0.84 RORC (0.54) RORCPKMPKLRNPC1CYP11B1
SCHEMBL24286633 0.83 PKM (0.51) RORCPKMPKLRCYP11B1CYP11B2

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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