SCHEMBL31408960

SCHEMBL31408960

OCc1nnc(-c2ccc(C(F)(F)F)c(F)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.54
CYP11B2 P19099 8/20 0.40
CYP11B1 P15538 6/20 0.40
SUCNR1 Q9BXA5 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38

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
SCHEMBL25398740 1.00 KIF11 (0.54) KIF11CYP11B2CYP11B1SUCNR1PPARG
SCHEMBL25397560 0.86 KIF11 (0.43) KIF11CYP11B2CYP11B1
SCHEMBL31408961 0.83 QPCTL (0.47) CYP11B2CYP11B1
SCHEMBL25397902 0.83 QPCTL (0.47) CYP11B2CYP11B1
SCHEMBL13899189 0.77 QPCT (0.49) KIF11
SCHEMBL25433860 0.77 HDAC6 (0.36)
SCHEMBL25396568 0.77 KDM4E (0.43)
SCHEMBL31408954 0.77 KDM4E (0.43)
SCHEMBL31333764 0.75 PPARD (0.54) KIF11CYP11B2CYP11B1PPARGPPARD
SCHEMBL5017176 0.74 PPARD (0.57) KIF11CYP11B2CYP11B1PPARGPPARD

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
CN-119212981-A Thiadiazole compound and pharmaceutical composition for preventing or treating inflammatory diseases comprising the same 财团法人 大邱庆北尖端医疗产业振兴财团 2024-12-27 CN disclosed