(2-Nitrovinyl)Benzene

(2-Nitrovinyl)Benzene

SCHEMBL28758634

CF.O=[N+]([O-])C=Cc1ccccc1

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 16/20 0.88
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ S1PR4 O95977 1/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ S1PR1 P21453 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ CCR6 P51684 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ TLR9 Q9NR96 1/20 0.64
▸ TLR4 O00206 2/20 0.62
▸ TLR2 O60603 2/20 0.62
▸ EGFR P00533 1/20 0.57
▸ MAPT P10636 1/20 0.56
▸ VCP P55072 1/20 0.55

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
(2-Nitrovinyl)Benzene SCHEMBL1226357 0.94 FBP1 (1.00) FBP1ALDH1A1LMNASMN1; SMN2MEN1
(2-Nitrovinyl)Benzene SCHEMBL28065845 0.94 FBP1 (1.00) FBP1ALDH1A1LMNASMN1; SMN2MEN1
(2-Nitrovinyl)Benzene SCHEMBL30591 0.94 FBP1 (1.00) FBP1ALDH1A1LMNASMN1; SMN2MEN1
(2-Nitrovinyl)Benzene SCHEMBL30590 0.94 FBP1 (1.00) FBP1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL19088017 0.94 FBP1 (1.00) FBP1ALDH1A1LMNASMN1; SMN2MEN1
(2-Nitrovinyl)Benzene SCHEMBL1226359 0.94 FBP1 (1.00) FBP1ALDH1A1LMNASMN1; SMN2MEN1
(2-Nitrovinyl)Benzene SCHEMBL18132133 0.94 FBP1 (1.00) FBP1ALDH1A1LMNASMN1; SMN2MEN1
(2-Nitrovinyl)Benzene SCHEMBL5514329 0.90 FBP1 (0.84) FBP1ALDH1A1LMNASMN1; SMN2MEN1
Hexamethylbenzene SCHEMBL29275075 0.90 FBP1 (0.84) FBP1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7829071 0.89 FBP1 (0.91) FBP1ALDH1A1LMNASMN1; SMN2MEN1

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-1882590-A Fused heterocyclic compounds as serotonin receptor modulators JOHNSON & JOHNSON (BE) 2006-12-20 — — CN disclosed
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