SCHEMBL7814937

SCHEMBL7814937

NC(N)=NC(=O)c1cccc(-c2cccnc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.63
MKNK1 Q9BUB5 8/20 0.53
MKNK2 Q9HBH9 8/20 0.53
MEN1 O00255 1/20 0.49
PSIP1 O75475 1/20 0.49
AXL P30530 1/20 0.49
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
SARM1 Q6SZW1 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SIRT4 Q9Y6E7 1/20 0.47
CYP2C9 P11712 1/20 0.47
SLC9A1 P19634 1/20 0.47
PIM1 P11309 1/20 0.45
ASIC3 Q9UHC3 1/20 0.45
MAPK14 Q16539 1/20 0.45

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 SCHEMBL27404908 0.99 KMO (0.61) KMOMKNK1MKNK2MEN1PSIP1
Hydrochloric Acid SCHEMBL7823972 0.99 KMO (0.61) KMOMKNK1MKNK2MEN1PSIP1
SCHEMBL608617 0.83 KMO (0.73) KMOMKNK1MKNK2MEN1PSIP1
SCHEMBL27714167 0.82 F7 (0.63) MKNK1MKNK2MEN1F7F3
Hydrochloric Acid SCHEMBL30037096 0.81 KMO (0.71) KMOMKNK1MKNK2MEN1PSIP1
SCHEMBL1387930 0.81 KMO (0.56) KMOSLC9A1ASIC3
SCHEMBL7915997 0.80 SLC9A1 (0.48) MKNK1MKNK2CYP2C9SLC9A1
Hydrochloric Acid SCHEMBL7823537 0.80 KMO (0.55) KMOSLC9A1ASIC3
SCHEMBL27605046 0.79 KMO (0.77) KMOMKNK1MKNK2MEN1PSIP1
SCHEMBL8639260 0.79 MKNK1 (0.49) MKNK1MKNK2CHEK2

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