SCHEMBL24286433

SCHEMBL24286433

Cn1nccc1-c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ PKLR P30613 1/20 0.49
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ RORC P51449 12/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MCOLN3 Q8TDD5 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ SCN9A Q15858 2/20 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
SCHEMBL24286518 0.85 PKM (0.48) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286390 0.85 PKM (0.57) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286397 0.85 PKM (0.49) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286460 0.84 PKM (0.48) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286516 0.84 PKM (0.48) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286727 0.84 PKM (0.53) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286654 0.83 PKM (0.51) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286633 0.83 PKM (0.51) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286349 0.83 PKM (0.55) PKMPKLRRORCKMT2APAX8
SCHEMBL24286391 0.83 PKM (0.53) PKMPKLRCYP11B1CYP11B2RORC

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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