SCHEMBL6227347

SCHEMBL6227347

O=C(NNC(=O)c1ccc[n+](CC(=O)c2cccs2)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.45
PABPC1 P11940 1/20 0.45
ATM Q13315 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45

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
Bromide SCHEMBL1193996 0.99 RAB9A (0.58) RAB9AKMT2AALDH1A1CYP1A2ADRB2
SCHEMBL6228170 0.91 RAB9A (0.48) RAB9AKMT2AALDH1A1CYP1A2ADRB2
SCHEMBL6229031 0.90 KMT2A (0.49) RAB9AKMT2AALDH1A1CYP1A2ADRB2
Bromide SCHEMBL1194756 0.90 KMT2A (0.48) RAB9AKMT2AALDH1A1CYP1A2ADRB2
Bromide SCHEMBL1195109 0.89 KMT2A (0.51) RAB9AKMT2AALDH1A1CYP1A2ADRB2
SCHEMBL6225447 0.86 RAB9A (0.42) RAB9AKMT2AALDH1A1CYP2C19ERCC5
SCHEMBL30206621 0.86 RAB9A (0.42) RAB9AKMT2AALDH1A1CYP2C19ERCC5
SCHEMBL6228492 0.85 GLA (0.48) RAB9AKMT2AALDH1A1CYP2C19NPC1
Bromide SCHEMBL1194277 0.85 GLA (0.42) RAB9AKMT2AALDH1A1CYP1A2ADRB2
Hydrochloric Acid SCHEMBL22217136 0.85 RAB9A (0.41) RAB9AKMT2AALDH1A1CYP1A2ADRB2

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-1243581-B1 Pyridinium compounds useful for the treatment of AGE-related diseases TORRENT PHARMACEUTICALS LTD (IN) 2005-07-13 EP claimed