SCHEMBL24286520

SCHEMBL24286520

Cc1cc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)nc(N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.46
▸ PKLR P30613 1/20 0.46
▸ RORC P51449 12/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40

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
SCHEMBL24286487 0.94 PKM (0.46) PKMPKLRRORCNR1H3L3MBTL1
SCHEMBL24286274 0.91 PKM (0.47) PKMPKLRRORCNR1H3L3MBTL1
SCHEMBL24286269 0.90 RORC (0.47) PKMPKLRRORCL3MBTL1ALDH1A1
SCHEMBL24286559 0.89 PKM (0.45) PKMPKLRRORCNR1H3L3MBTL1
SCHEMBL24286581 0.86 PKM (0.45) PKMPKLRRORCL3MBTL1ALDH1A1
SCHEMBL24286519 0.85 PKM (0.49) PKMPKLRRORCNR1H3L3MBTL1
SCHEMBL24287208 0.85 PKM (0.46) PKMPKLRRORCNR1H3L3MBTL1
SCHEMBL24286383 0.85 PKM (0.53) PKMPKLRRORCNR1H3KMT2A
SCHEMBL24286236 0.84 PKM (0.52) PKMPKLRRORCNR1H3L3MBTL1
SCHEMBL24286727 0.84 PKM (0.53) PKMPKLRRORCNR1H3KMT2A

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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