SCHEMBL7651129

SCHEMBL7651129

CCOC(=O)CCCCn1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
HSD17B10 Q99714 6/20 0.49
MAPK10 P53779 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.46
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 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
SCHEMBL7651742 0.84 HSD17B10 (0.52) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7651736 0.83 HSD17B10 (0.52) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7649974 0.82 MAPK10 (0.55) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7649673 0.80 HSD17B10 (0.67) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7648336 0.80 HSD17B10 (0.67) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E
SCHEMBL7358308 0.79 GRIK1 (0.59) MAPTKDM4EALDH1A1GRIK1GRIK2
SCHEMBL7651785 0.78 TNF (0.48) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL17434518 0.78 CA12 (0.64) CA12CA9MAPTALDH1A1POLB
SCHEMBL14266807 0.78 MAPT (0.47) MAPTKDM4EALDH1A1POLBLMNA
SCHEMBL7654811 0.77 HSD17B10 (0.71) HSD17B10MAPK10SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed