SCHEMBL10480943

SCHEMBL10480943

COC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)COC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.63
LMNA P02545 4/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NTSR1 P30989 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
FBP1 P09467 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 2/20 0.44
PAX8 Q06710 1/20 0.44
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL10480938 1.00 GLO1 (0.63) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL10375508 0.90 GLO1 (0.79) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL10376715 0.90 GLO1 (0.79) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL11733751 0.89 GLO1 (0.61) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL9727514 0.88 GLO1 (0.64) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL9727518 0.88 GLO1 (0.64) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL7265045 0.88 GLO1 (0.73) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL30296654 0.85 GLO1 (0.79) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL30477011 0.85 GLO1 (0.79) GLO1LMNAKDM4EALDH1A1KMT2A
SCHEMBL9667966 0.85 GLO1 (0.79) GLO1LMNAKDM4EALDH1A1KMT2A

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
US-4798840-A Coronary-active fluorine-containing 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1989-01-17 US disclosed