SCHEMBL24286581

SCHEMBL24286581

Cc1ccc(N(C)C)nc1-c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.45
▸ PKLR P30613 1/20 0.45
▸ RORC P51449 15/20 0.44
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 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
SCHEMBL24286274 0.87 PKM (0.47) PKMPKLRRORCALDH1A1L3MBTL1
SCHEMBL24286520 0.86 PKM (0.46) PKMPKLRRORCALDH1A1L3MBTL1
SCHEMBL24286584 0.85 PKM (0.45) PKMPKLRRORCALDH1A1L3MBTL1
SCHEMBL24286487 0.85 PKM (0.46) PKMPKLRRORCALDH1A1L3MBTL1
SCHEMBL24286793 0.84 PKM (0.53) PKMPKLRRORCKMT2APAX8
SCHEMBL24286559 0.83 PKM (0.45) PKMPKLRRORCALDH1A1L3MBTL1
SCHEMBL24286349 0.82 PKM (0.55) PKMPKLRRORCKMT2APAX8
SCHEMBL20957291 0.81 RORC (0.70) RORC
SCHEMBL18312657 0.81 RORC (0.70) RORC
SCHEMBL24286727 0.81 PKM (0.53) PKMPKLRRORCKMT2APAX8

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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