SCHEMBL28375620

SCHEMBL28375620

CN(C)C(=O)C=Cc1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 6/20 0.55
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PTGS1 P23219 3/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ HTT P42858 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ NQO2 P16083 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ MMP1 P03956 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 2/20 0.47
▸ FBP1 P09467 1/20 0.46

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
SCHEMBL5677002 0.87 NFE2L2 (0.52) NFE2L2MAOAMAOBKDM4ENPC1
SCHEMBL5676995 0.87 NFE2L2 (0.52) NFE2L2MAOAMAOBKDM4ENPC1
SCHEMBL28377653 0.81 MAOA (0.55) MAOAMAOBKDM4ENPC1RAB9A
SCHEMBL455051 0.81 NFE2L2 (0.61) NFE2L2MAOAMAOBKDM4ENPC1
SCHEMBL455052 0.81 NFE2L2 (0.61) NFE2L2MAOAMAOBKDM4ENPC1
SCHEMBL30548410 0.81 NFE2L2 (0.61) NFE2L2MAOAMAOBKDM4ENPC1
SCHEMBL5598783 0.80 NFE2L2 (0.65) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL5598785 0.80 NFE2L2 (0.65) NFE2L2MAOAMAOBPTGS1PTGS2
SCHEMBL5479748 0.80 NPSR1 (0.65) MAOAMAOBNPC1PTGS1PTGS2
SCHEMBL481195 0.80 HSD17B3 (0.67) MAOAMAOBPTGS1PTGS2HTT

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-111018735-B Preparation method of cinnamamide compound 河南农业大学 2021-09-07 — — CN disclosed
CN-111018735-A Preparation method of cinnamamide 河南农业大学 2020-04-17 — — CN disclosed
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