SCHEMBL1929043

SCHEMBL1929043

NC(=NC(=O)c1nc(Cl)c(N)nc1N)NCCCCCCCCCCCC(=O)Nc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 9/20 0.41
SCNN1A P37088 8/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
GLA P06280 3/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 3/20 0.41
GAA P10253 2/20 0.41
CYP2D6 P10635 2/20 0.41
SLC22A1 O15245 1/20 0.41
HTR1A P08908 1/20 0.41
TSHR P16473 1/20 0.41
SLC9A1 P19634 1/20 0.41
MAOA P21397 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL1171503 0.84 SCNN1A (0.49) SCNN1A
SCHEMBL6363491 0.84 SCNN1A (0.49) SCNN1A
SCHEMBL11149117 0.83 PLAU (0.53) PLAUSCNN1AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL917428 0.83 SCNN1A (0.49) SCNN1A
SCHEMBL12550419 0.82 GRM5 (0.38) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1930596 0.81 PLAU (0.56) PLAUSCNN1AALDH1A1KDM4EHPGD
Bromide SCHEMBL4789645 0.80 PLAU (0.60) PLAUSCNN1AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL4693836 0.80 KDM4E (0.62) PLAUSCNN1AALDH1A1KDM4EHPGD
SCHEMBL1929320 0.79 SCNN1A (0.53) PLAUSCNN1AALDH1A1KDM4EHPGD
Bromide SCHEMBL4693426 0.79 PLAU (0.61) PLAUSCNN1AALDH1A1KDM4EHPGD

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-7956059-B2 Aliphatic amide and ester pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2011-06-07 US disclosed