SCHEMBL6013440

SCHEMBL6013440

N=C(N)N(CCCCCCN)C(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 14/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
GLA P06280 5/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 5/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 3/20 0.40
SLC9A5 Q14940 3/20 0.40
LMNA P02545 2/20 0.40
PLAU P00749 2/20 0.40
CYP2D6 P10635 2/20 0.40
FTO Q9C0B1 2/20 0.40
BLM P54132 2/20 0.40
SLC22A1 O15245 1/20 0.40
HTR1A P08908 1/20 0.40
TSHR P16473 1/20 0.40
SLC9A1 P19634 1/20 0.40
MAOA P21397 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL4418118 1.00 SCNN1A (0.40) SCNN1AALDH1A1KDM4EGLAHPGD
Hydrochloric Acid SCHEMBL4411227 0.99 KDM4E (0.42) SCNN1AALDH1A1KDM4EGLAHPGD
Hydrochloric Acid SCHEMBL4418824 0.99 KDM4E (0.42) SCNN1AALDH1A1KDM4EGLAHPGD
Hydrochloric Acid SCHEMBL4422743 0.99 KDM4E (0.42) SCNN1AALDH1A1KDM4EGLAHPGD
Hydrochloric Acid SCHEMBL4426476 0.99 KDM4E (0.42) SCNN1AALDH1A1KDM4EGLAHPGD
Hydrochloric Acid SCHEMBL4693835 0.93 KDM4E (0.46) SCNN1AALDH1A1KDM4EGLAHPGD
Bromide SCHEMBL4789642 0.93 SCNN1A (0.43) SCNN1AALDH1A1KDM4EGLAHPGD
Bromide SCHEMBL4693421 0.92 SCNN1A (0.44) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL1928765 0.90 SCNN1A (0.40) SCNN1AALDH1A1KDM4EGLAHPGD
SCHEMBL1930542 0.88 SCNN1A (0.39) SCNN1AALDH1A1KDM4EGLAHPGD

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
EP-1656096-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS Parion Sciences, Inc. (US) 2006-05-17 EP disclosed
WO-2005034847-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS PARION SCIENCES, INC. (US) 2005-04-21 WO disclosed