SCHEMBL11615365

SCHEMBL11615365

N/C(=N/C(=O)c1nc(Cl)c(N)nc1N)NC(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.59
SCNN1A P37088 9/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
GLA P06280 5/20 0.57
HPGD P15428 5/20 0.57
HSD17B10 Q99714 5/20 0.57
GAA P10253 3/20 0.57
CYP1A2 P05177 3/20 0.57
NPC1 O15118 2/20 0.57
CYP2D6 P10635 2/20 0.57
FTO Q9C0B1 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPT P10636 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
HIF1A Q16665 1/20 0.57
BLM P54132 2/20 0.56
GMNN O75496 1/20 0.56
PMP22 Q01453 1/20 0.56

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
Benzamil SCHEMBL5433990 0.94 PLAU (0.63) PLAUSCNN1AALDH1A1KDM4EGLA
Benzamil SCHEMBL4242779 0.94 PLAU (0.63) PLAUSCNN1AALDH1A1KDM4EGLA
Benzamil SCHEMBL412783 0.94 PLAU (0.63) PLAUSCNN1AALDH1A1KDM4EGLA
Benzamil SCHEMBL9464171 0.93 PLAU (0.64) PLAUSCNN1AALDH1A1KDM4EGLA
SCHEMBL10028719 0.82 SCNN1A (0.61) PLAUSCNN1AALDH1A1KDM4EGLA
Hydrochloric Acid SCHEMBL11618253 0.81 PLAU (0.60) PLAUSCNN1AALDH1A1KDM4EGLA
SCHEMBL11618564 0.81 PLAU (0.58) PLAUSCNN1AALDH1A1KDM4EGLA
SCHEMBL5065784 0.81 KCNH2 (0.51) PLAUSCNN1AALDH1A1KDM4EGLA
3',4' Dichlorobenzamil SCHEMBL14504158 0.80 HSD17B10 (0.60) PLAUSCNN1AALDH1A1KDM4EGLA
SCHEMBL5014171 0.80 SCNN1A (0.52) PLAUSCNN1AALDH1A1KDM4EGLA

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
US-4085211-A DIURETICS, NATRIURETICS MERCK & CO., INC. (US) 1978-04-18 US disclosed