SCHEMBL24286258

SCHEMBL24286258

COc1cccc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ PKLR P30613 1/20 0.47
▸ RORC P51449 14/20 0.47
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL24286255 0.91 RORC (0.45) PKMPKLRRORCNPC1KMT2A
SCHEMBL24286351 0.90 RORC (0.49) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286236 0.89 PKM (0.52) PKMPKLRRORCKMT2APAX8
SCHEMBL24286519 0.88 PKM (0.49) PKMPKLRRORCKMT2APAX8
SCHEMBL24286389 0.87 PKM (0.50) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286842 0.87 RORC (0.45) PKMPKLRRORCNPC1KMT2A
SCHEMBL24286425 0.86 PKM (0.49) PKMPKLRRORCKMT2APAX8
SCHEMBL24286396 0.86 RORC (0.49) PKMPKLRRORCNPC1KMT2A
SCHEMBL24286274 0.86 PKM (0.47) PKMPKLRRORCKMT2APAX8
SCHEMBL24286522 0.86 PKM (0.47) PKMPKLRRORCKMT2APAX8

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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