SCHEMBL8436976

SCHEMBL8436976

Nc1cccc2c1Cc1ccccc1-2.[N-]=[N+]=N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ACHE P22303 3/20 0.36
BCHE P06276 1/20 0.36
LIMK1 P53667 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CD44 P16070 1/20 0.35
MAOA P21397 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL221400 0.89 PNMT (0.58) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL30497776 0.89 PNMT (0.58) PNMTNPC1RAB9AALDH1A1KDM4E
Bromide SCHEMBL28349432 0.87 PNMT (0.56) PNMTNPC1RAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2866030 0.87 PNMT (0.56) PNMTNPC1RAB9AALDH1A1KDM4E
Biphenyl SCHEMBL28377104 0.82 PNMT (0.51) PNMTNPC1RAB9AALDH1A1KDM4E
Dimethylamine SCHEMBL28473739 0.82 PNMT (0.51) PNMTNPC1RAB9AALDH1A1KDM4E
SCHEMBL3630935 0.80 PNMT (0.56) PNMTNPC1RAB9AALDH1A1KDM4E
Phenol SCHEMBL28634798 0.79 PNMT (0.53) PNMTNPC1RAB9AALDH1A1KDM4E
Fluorene SCHEMBL8433581 0.79 MAOA (0.52) PNMTNPC1RAB9AALDH1A1KDM4E
Fluorene SCHEMBL8190462 0.79 MAOA (0.52) PNMTNPC1RAB9AALDH1A1KDM4E

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-6004741-A ENHANCED BINDING TO NUCLEIC ACID OF PATHOGENS, RESULTING IN SAFER, MORE EFFICIENT, AND RELIABLE INACTIVATION OF PATHOGENS IN BLOOD PRODUCTS CERUS CORPORATION (US) 1999-12-21 US disclosed