SCHEMBL28589575

SCHEMBL28589575

CC(C)(C)OC(=O)NCC(=CF)COc1ccc(S(=O)(=O)N2CCC(C)(C(N)=O)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 4/20 0.40
▸ F13A1 P00488 3/20 0.40
▸ TGM1 P22735 3/20 0.40
▸ NAMPT P43490 3/20 0.39
▸ AOC2 O75106 8/20 0.37
▸ PTGDR Q13258 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL24025550 1.00 TGM2 (0.40) TGM2F13A1TGM1NAMPTAOC2
SCHEMBL24025513 0.93 F13A1 (0.41) TGM2F13A1TGM1NAMPTAOC2
SCHEMBL24025663 0.92 F13A1 (0.40) TGM2F13A1TGM1NAMPTAOC2
SCHEMBL24057972 0.89 NAMPT (0.46) TGM2F13A1TGM1NAMPTPTGDR
SCHEMBL26284110 0.87 PTGDR (0.40) AOC2PTGDRMAOAMAOBKDM4E
SCHEMBL23779149 0.86 AOC2 (0.39) TGM2F13A1TGM1NAMPTAOC2
SCHEMBL23779148 0.86 AOC2 (0.39) TGM2F13A1TGM1NAMPTAOC2
SCHEMBL23779145 0.85 NAMPT (0.39) TGM2F13A1TGM1NAMPTAOC2
SCHEMBL24057612 0.84 AOC2 (0.48) AOC2MAOAMAOB
SCHEMBL24025442 0.84 AOC2 (0.48) AOC2MAOAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955214-B Pyridylsulfonamide derivatives, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2024-05-07 — — CN disclosed
CN-112955214-A Pyridylsulfonamide derivatives, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2021-06-11 — — CN disclosed
Send feedback