SCHEMBL24287119

SCHEMBL24287119

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCOc2cc(Cl)c(-c3cccc(C(F)(F)F)n3)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.49
▸ PKLR P30613 1/20 0.49
▸ NR1H3 Q13133 2/20 0.44
▸ RORC P51449 10/20 0.42
▸ SCN9A Q15858 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ NR1H2 P55055 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
SCHEMBL24286278 0.86 RORC (0.51) PKMPKLRNR1H3RORCHTT
SCHEMBL24286281 0.85 PKM (0.49) PKMPKLRNR1H3RORCHTT
SCHEMBL24286427 0.84 PKM (0.50) PKMPKLRNR1H3RORCNR1H2
SCHEMBL24286273 0.84 RORC (0.51) PKMPKLRNR1H3RORCPOLB
SCHEMBL24286236 0.84 PKM (0.52) PKMPKLRNR1H3RORCL3MBTL1
SCHEMBL24286271 0.82 PKM (0.54) PKMPKLRNR1H3RORCSCN9A
SCHEMBL24286917 0.80 PKM (0.46) PKMPKLRNR1H3RORCNR1H2
SCHEMBL24286444 0.80 RORC (0.52) PKMPKLRNR1H3RORCL3MBTL1
SCHEMBL24286425 0.80 PKM (0.49) PKMPKLRNR1H3RORCKMT2A
SCHEMBL20957100 0.78 RORC (0.69) RORC

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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