SCHEMBL7826352

SCHEMBL7826352

O=C(O)c1cc(C(=O)O)cc(-n2cccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
POLB P06746 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 2/20 0.48
NR4A1 P22736 2/20 0.48
AOC2 O75106 2/20 0.46
NSD2 O96028 2/20 0.45
G6PD P11413 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
CASP6 P55212 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
GRK2 P25098 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 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
SCHEMBL7815973 0.86 TSHR (0.44) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL7826366 0.83 SLC9A1 (0.39) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL5375570 0.82 CES2 (0.44) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL7827158 0.82 MRGPRX4 (0.40) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL29671334 0.81 AOC2 (0.64) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL594234 0.81 AOC2 (0.64) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL8704334 0.80 AOC2 (0.43) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL30835180 0.78 HCAR2 (0.48) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL1423044 0.78 HCAR2 (0.48) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL217623 0.77 AOC2 (0.60) KDM4EPOLBALDH1A1HSD17B10HPGD

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed