SCHEMBL7069628

SCHEMBL7069628

CCCCCC(=O)OOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX12 P18054 1/20 0.43
F2 P00734 1/20 0.42

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
SCHEMBL7069631 0.87 BCL9 (0.56) ALDH1A1GAAHPGDTDP1CYP2C9
SCHEMBL4608246 0.86 BCL9 (0.55) ALDH1A1GAAHPGDTDP1CYP2C9
SCHEMBL9168629 0.86 BCL9 (0.55) ALDH1A1GAAHPGDTDP1CYP2C9
SCHEMBL4073813 0.84 BCL9 (0.58) ALDH1A1GAATDP1LMNAKMT2A
SCHEMBL8359279 0.79 EPHX2 (0.55)
SCHEMBL4076672 0.79 ALDH1A1 (0.46) ALDH1A1HPGDTDP1LMNABCL9
SCHEMBL4779903 0.78 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C19LMNACHRNB2
SCHEMBL9065260 0.77 CES2 (0.49) ALDH1A1MEN1KMT2A
SCHEMBL4849025 0.77 BCL9 (0.68) ALDH1A1LMNACHRNB2CHRNA4MEN1
SCHEMBL8461839 0.76 CHRNB2 (0.67) ALDH1A1HPGDLMNACHRNB2CHRNA4

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
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed