SCHEMBL10463201

SCHEMBL10463201

COC(=O)CNCCNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.46
SCNN1A P37088 13/20 0.42
GRM5 P41594 1/20 0.40
KCNH2 Q12809 2/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
GLA P06280 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
GAA P10253 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
FTO Q9C0B1 2/20 0.39
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
BLM P54132 2/20 0.38

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
SCHEMBL10462678 0.81 SCNN1A (0.41) PLAUSCNN1AGRM5KCNH2ALDH1A1
SCHEMBL1441745 0.80 SCNN1A (0.48) PLAUSCNN1AGRM5KCNH2ALDH1A1
SCHEMBL16541800 0.79 SCNN1A (0.53) PLAUSCNN1AGRM5KCNH2ALDH1A1
SCHEMBL10461270 0.79 SCNN1A (0.43) PLAUSCNN1AGRM5KCNH2ALDH1A1
SCHEMBL7293267 0.78 SCNN1A (0.44) PLAUSCNN1AGRM5KCNH2ALDH1A1
SCHEMBL10462647 0.78 MEN1 (0.44) PLAUSCNN1AGRM5KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL10334228 0.77 SCNN1A (0.43) PLAUSCNN1AGRM5KCNH2ALDH1A1
SCHEMBL1429031 0.77 SCNN1A (0.50) PLAUSCNN1AGRM5ALDH1A1KDM4E
SCHEMBL10965516 0.76 PLAU (0.54) PLAUSCNN1AGRM5KCNH2ALDH1A1
SCHEMBL1429125 0.76 SCNN1A (0.44) PLAUSCNN1AGRM5KCNH2ALDH1A1

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-4906633-A Pyrazine amides ICI AMERICAS INC. (US) 1990-03-06 US disclosed
EP-0293171-A1 Pyrazinamide derivatives ICI AMERICAS INC. (US) 1988-11-30 EP disclosed