SCHEMBL24287208

SCHEMBL24287208

CN(C)c1nccc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ RORC P51449 11/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40
▸ KDM2B Q8NHM5 1/20 0.40
▸ NR1H3 Q13133 1/20 0.39

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
SCHEMBL24286274 0.88 PKM (0.47) PKMPKLRL3MBTL1ALDH1A1CYP11B1
SCHEMBL24286738 0.88 PKM (0.47) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286654 0.87 PKM (0.51) PKMPKLRCYP11B1CYP11B2RORC
SCHEMBL24286584 0.86 PKM (0.45) PKMPKLRL3MBTL1ALDH1A1CYP11B1
SCHEMBL24286236 0.86 PKM (0.52) PKMPKLRL3MBTL1CYP11B1CYP11B2
SCHEMBL24286487 0.85 PKM (0.46) PKMPKLRL3MBTL1ALDH1A1CYP11B1
SCHEMBL24286519 0.85 PKM (0.49) PKMPKLRL3MBTL1CYP11B1CYP11B2
SCHEMBL24286520 0.85 PKM (0.46) PKMPKLRL3MBTL1ALDH1A1CYP11B1
SCHEMBL24286389 0.84 PKM (0.50) PKMPKLRL3MBTL1CYP11B1CYP11B2
SCHEMBL24286260 0.83 PKM (0.49) PKMPKLRL3MBTL1CYP11B1CYP11B2

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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