SCHEMBL8629798

SCHEMBL8629798

C/C(=C\c1cccc(S)c1)[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.64
EGFR P00533 3/20 0.57
ABL1 P00519 1/20 0.57
ABL2 P42684 1/20 0.57
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
JAK2 O60674 1/20 0.49
MITF O75030 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
NTSR1 P30989 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
GLO1 Q04760 2/20 0.45
S1PR4 O95977 1/20 0.41
HPGD P15428 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL8629799 1.00 FBP1 (0.64) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL2748046 0.81 FBP1 (0.66) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL2748049 0.81 FBP1 (0.66) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL14230254 0.81 FBP1 (0.66) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL2748047 0.81 FBP1 (0.66) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL3611102 0.80 GLO1 (0.69) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL8628810 0.80 FBP1 (0.69) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL4495569 0.80 FBP1 (0.64) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL3611103 0.80 GLO1 (0.69) FBP1EGFRABL1ABL2ALDH1A1
SCHEMBL3611099 0.80 GLO1 (0.69) 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