SCHEMBL6228170

SCHEMBL6228170

O=C(NNc1ccccc1)c1ccc[n+](CC(=O)c2cccs2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
PTGS2 P35354 1/20 0.47
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
ADRB2 P07550 1/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 3/20 0.44
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
HPGDS O60760 1/20 0.43
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
PABPC1 P11940 1/20 0.41
ATM Q13315 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
Bromide SCHEMBL1194756 0.99 KMT2A (0.48) RAB9APTGS2KMT2AALDH1A1CYP2C9
SCHEMBL6227347 0.91 RAB9A (0.59) RAB9AKMT2AALDH1A1CYP2C9CYP2C19
Bromide SCHEMBL1193996 0.90 RAB9A (0.58) RAB9AKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL6229031 0.88 KMT2A (0.49) RAB9AKMT2AALDH1A1CYP2C9CYP2C19
Bromide SCHEMBL1195109 0.87 KMT2A (0.51) RAB9AKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL6227213 0.85 KMT2A (0.61) PTGS2KMT2AALDH1A1CYP2C9CYP2C19
Bromide SCHEMBL1194169 0.84 KMT2A (0.63) RAB9APTGS2KMT2AALDH1A1CYP2C9
Bromide SCHEMBL1193826 0.83 SMN1; SMN2 (0.42) RAB9AKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL6225447 0.82 RAB9A (0.42) RAB9AKMT2AALDH1A1CYP2C19MEN1
SCHEMBL30206621 0.82 RAB9A (0.42) RAB9AKMT2AALDH1A1CYP2C19MEN1

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