SCHEMBL24286584

SCHEMBL24286584

CN(C)c1ccnc(-c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.45
▸ PKLR P30613 1/20 0.45
▸ RORC P51449 11/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.39
▸ NR1H3 Q13133 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
SCHEMBL24286710 0.89 PKM (0.48) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286274 0.87 PKM (0.47) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286842 0.87 RORC (0.45) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24287208 0.86 PKM (0.46) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286581 0.85 PKM (0.45) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286487 0.85 PKM (0.46) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286520 0.84 PKM (0.46) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286559 0.83 PKM (0.45) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286654 0.82 PKM (0.51) PKMPKLRRORCCYP11B1CYP11B2
SCHEMBL24286633 0.82 PKM (0.51) PKMPKLRRORCCYP11B1CYP11B2

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