SCHEMBL24286727

SCHEMBL24286727

Cc1ccc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.53
▸ PKLR P30613 1/20 0.53
▸ RORC P51449 14/20 0.51
▸ CYP2C9 P11712 1/20 0.49
▸ KMT2A Q03164 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ NR1H3 Q13133 1/20 0.45

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
SCHEMBL24286383 0.93 PKM (0.53) PKMPKLRRORCCYP2C9KMT2A
SCHEMBL24286391 0.93 PKM (0.53) PKMPKLRRORCCYP2C9KMT2A
SCHEMBL24286390 0.92 PKM (0.57) PKMPKLRRORCCYP2C9KMT2A
SCHEMBL24286793 0.91 PKM (0.53) PKMPKLRRORCKMT2APAX8
SCHEMBL24286545 0.90 RORC (0.62) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286741 0.89 PKM (0.49) PKMPKLRRORCKMT2A
SCHEMBL24286649 0.89 RORC (0.56) PKMPKLRRORC
SCHEMBL24286486 0.89 RORC (0.64) PKMPKLRRORCKMT2APAX8
SCHEMBL24286219 0.89 RORC (0.56) PKMPKLRRORCKMT2APAX8
SCHEMBL24286349 0.89 PKM (0.55) 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
Send feedback