SCHEMBL7822720

SCHEMBL7822720

COC(=O)c1cccc(-c2cccc(C#N)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.61
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
KAT6A Q92794 1/20 0.53
ERN1 O75460 3/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CDK8 P49336 1/20 0.49
XDH P47989 1/20 0.49
SLC22A12 Q96S37 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.46
GSK3B P49841 1/20 0.46

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
SCHEMBL60040 0.90 MRGPRX4 (0.56) PLAUMRGPRX4CYP11B1CYP11B2LOXL2
SCHEMBL30444713 0.90 MRGPRX4 (0.56) PLAUMRGPRX4CYP11B1CYP11B2LOXL2
SCHEMBL6659038 0.89 PLAU (0.60) PLAUCA12CA9CA1CA2
SCHEMBL7825418 0.89 PLAU (0.67) PLAUCA12CA9CA1CA2
SCHEMBL22556954 0.88 KDM4C (0.55) PLAUMRGPRX4GABRG2GABRB3GABRA5
SCHEMBL7717556 0.87 PLAU (0.50) PLAUCA12CA9CA1CA2
SCHEMBL732754 0.87 PLAU (0.50) PLAUCA12CA9CA1CA2
SCHEMBL67941 0.85 CA12 (0.68) PLAUCA12CA9CA1CA2
SCHEMBL6831985 0.84 CYP11B1 (0.52) PLAUMRGPRX4CYP11B1CYP11B2LOXL2
SCHEMBL6578619 0.84 CYP11B1 (0.55) PLAUMRGPRX4CYP11B1CYP11B2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1080257-C Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 2002-03-06 CN disclosed
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
CN-1123545-A Guanidine derivatives as inhibitors of Na+/H+ exchange in cells FUJISAWA PHARMACEUTICAL CO (JP) 1996-05-29 CN 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