SCHEMBL24286349

SCHEMBL24286349

Cc1cccc(C)c1-c1ccc2c(c1)N(S(=O)(=O)c1cccc(C(F)(F)F)c1)CCO2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.55
▸ PKLR P30613 1/20 0.55
▸ RORC P51449 16/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PAX8 Q06710 1/20 0.48

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
SCHEMBL24286698 0.90 RORC (0.53) PKMPKLRRORC
SCHEMBL24286476 0.90 PKM (0.55) PKMPKLRRORCKMT2APAX8
SCHEMBL24286793 0.90 PKM (0.53) PKMPKLRRORCKMT2APAX8
SCHEMBL24286207 0.89 RORC (0.50) PKMPKLRRORC
SCHEMBL24286727 0.89 PKM (0.53) PKMPKLRRORCKMT2APAX8
SCHEMBL24286390 0.89 PKM (0.57) PKMPKLRRORCKMT2APAX8
SCHEMBL24286417 0.89 RORC (0.55) PKMPKLRRORC
SCHEMBL24286391 0.88 PKM (0.53) PKMPKLRRORCKMT2APAX8
SCHEMBL24286383 0.88 PKM (0.53) PKMPKLRRORCKMT2APAX8
SCHEMBL24286498 0.88 RORC (0.55) PKMPKLRRORC

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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