SCHEMBL7826388

SCHEMBL7826388

NC(N)=NC(=O)c1cccc(-n2cnnn2)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.52
PTGS2 P35354 4/20 0.51
EPHX2 P34913 1/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49

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
Hydrochloric Acid SCHEMBL7826167 0.99 TP53 (0.59) TP53SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL4583569 0.85 TP53 (0.70) TP53SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL939911 0.80 SMN1; SMN2 (0.71) TP53SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL31175292 0.80 SMN1; SMN2 (0.71) TP53SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL334915 0.79 TP53 (0.71) TP53SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7815615 0.79 KAT6A (0.49) KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL7827218 0.78 KAT6A (0.48) KMT2ALMNAALDH1A1
SCHEMBL1388132 0.76 AOC2 (0.58) NPC1RAB9A
SCHEMBL21152328 0.76 NOTUM (0.72) TP53SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL8700331 0.75 SMN1; SMN2 (0.67) TP53SMN1; SMN2KMT2AMEN1LMNA

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