SCHEMBL8629342

SCHEMBL8629342

C/C(=C\c1ccc2ccccc2c1)[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.64
EGFR P00533 2/20 0.61
ABL1 P00519 1/20 0.61
ABL2 P42684 1/20 0.61
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
JAK2 O60674 1/20 0.53
MITF O75030 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
NTSR1 P30989 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 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
SCHEMBL8629347 1.00 FBP1 (0.64) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL11016653 0.83 EGFR (0.54) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL14303313 0.83 EGFR (0.56) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL29818623 0.83 EGFR (0.56) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL28673144 0.83 EGFR (0.56) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL29248016 0.80 MAOA (0.46) FBP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL29248022 0.80 MAOA (0.46) FBP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL1032131 0.78 FBP1 (1.00) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL1749791 0.78 FBP1 (1.00) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL1127238 0.78 FBP1 (1.00) FBP1EGFRABL1ABL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672646-B1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL CO (JP) 1998-06-10 EP disclosed
US-5639895-A Process for producing β-nitroenamine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
US-5597940-A REACTING NITROOLEFIN WITH HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-28 US disclosed
EP-0672646-A1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-20 EP disclosed