SCHEMBL28208342

SCHEMBL28208342

CCCCCCN=C=Nc1cccc(CN)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 13/20 0.44
▸ NOS2 P35228 13/20 0.44
▸ NOS3 P29474 11/20 0.40
▸ PNMT P11086 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ SIGMAR1 Q99720 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
SCHEMBL18245205 0.81 MEN1 (0.40) NAAAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL28207778 0.80 NAAA (0.36) NAAA
SCHEMBL28207770 0.79 NOS1 (0.41) NOS1NOS2NOS3CYP3A4
SCHEMBL964813 0.79 NAAA (0.42) NAAASMN1; SMN2
SCHEMBL18245029 0.79 NAAA (0.42) NAAASMN1; SMN2
SCHEMBL27979620 0.78 NOS1 (0.56) NOS1NOS2NOS3PNMT
SCHEMBL18245073 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL28207849 0.74 NAAA (0.36) PNMTTLR8NAAACYP3A4
SCHEMBL18245210 0.73 CYP3A4 (0.42) NAAAALDH1A1CYP3A4
SCHEMBL18244944 0.73 NAAA (0.40) NAAAALDH1A1CYP3A4GRIN2DGRIN3B

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-107848963-A Alkali-producing agent and/or radical-generating agent having acid resistance, and curable resin composition containing same 和光纯药工业株式会社 2018-03-27 — — CN disclosed
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