SCHEMBL24286460

SCHEMBL24286460

Cn1ccnc1-c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCO2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.48
▸ PKLR P30613 1/20 0.48
▸ CHRM5 P08912 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ RORC P51449 12/20 0.46
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR1H3 Q13133 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
SCHEMBL24286391 0.85 PKM (0.53) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286247 0.85 PKM (0.48) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286727 0.84 PKM (0.53) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286390 0.84 PKM (0.57) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286260 0.84 PKM (0.49) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286263 0.84 PKM (0.49) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286433 0.84 PKM (0.49) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286633 0.83 PKM (0.51) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286349 0.83 PKM (0.55) PKMPKLRRORCKMT2APAX8
SCHEMBL24286793 0.83 PKM (0.53) PKMPKLRRORCCYP11B1CYP11B2

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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