SCHEMBL10656958

SCHEMBL10656958

CC(N)CNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 10/20 0.47
CTSA P10619 2/20 0.44
GRM5 P41594 1/20 0.44
ALDH1A1 P00352 8/20 0.43
HSD17B10 Q99714 7/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 7/20 0.43
GLA P06280 6/20 0.43
CYP1A2 P05177 5/20 0.43
CYP2D6 P10635 4/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 3/20 0.43
FTO Q9C0B1 2/20 0.43
BLM P54132 2/20 0.43
PLAU P00749 2/20 0.43
TSHR P16473 2/20 0.43
SLC22A1 O15245 1/20 0.43
HTR1A P08908 1/20 0.43
SLC9A1 P19634 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL1134652 1.00 SCNN1A (0.47) SCNN1ACTSAGRM5ALDH1A1HSD17B10
SCHEMBL1134506 1.00 SCNN1A (0.47) SCNN1ACTSAGRM5ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1134554 0.98 SCNN1A (0.46) SCNN1ACTSAGRM5ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1134643 0.98 SCNN1A (0.46) SCNN1ACTSAGRM5ALDH1A1HSD17B10
SCHEMBL1134544 0.88 SCNN1A (0.45) SCNN1ACTSAGRM5ALDH1A1HSD17B10
SCHEMBL1134548 0.88 SCNN1A (0.45) SCNN1ACTSAGRM5ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL2074344 0.87 ALDH1A1 (0.44) SCNN1ACTSAGRM5ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1134531 0.87 ALDH1A1 (0.44) SCNN1ACTSAGRM5ALDH1A1HSD17B10
SCHEMBL1134633 0.86 SCNN1A (0.43) SCNN1ACTSAGRM5ALDH1A1HSD17B10
SCHEMBL1134504 0.85 SCNN1A (0.46) SCNN1ACTSAGRM5ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293170-A1 Aminomethylphenolic pyrazines, their preparation and use ICI AMERICAS INC. (US) 1988-11-30 EP disclosed