SCHEMBL24286397

SCHEMBL24286397

Cn1cc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)cn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ PKLR P30613 1/20 0.49
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ RORC P51449 14/20 0.46
▸ KMT2A Q03164 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ PFKFB3 Q16875 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NR1H3 Q13133 1/20 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
SCHEMBL24286450 0.90 RORC (0.47) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286390 0.87 PKM (0.57) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286668 0.87 RORC (0.47) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286727 0.85 PKM (0.53) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286263 0.85 PKM (0.49) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286433 0.85 PKM (0.49) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286233 0.85 CYP11B1 (0.53) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286793 0.85 PKM (0.53) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286391 0.85 PKM (0.53) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286383 0.85 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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