SCHEMBL6908873

SCHEMBL6908873

O=C(OCCNC(=O)c1cccc[n+]1CC(=O)c1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
AGTR1 P30556 1/20 0.40
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
LMNA P02545 2/20 0.38

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 SCHEMBL6909971 0.99 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AL3MBTL1AGTR1TMEM97
Bromide SCHEMBL1194178 0.82 GLA (0.46) SMN1; SMN2KMT2AL3MBTL1TMEM97SIGMAR1
SCHEMBL287785 0.71 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AL3MBTL1AGTR1TMEM97
SCHEMBL6226750 0.70 HPGD (0.46) KMT2AL3MBTL1TMEM97SIGMAR1ALDH1A1
SCHEMBL6227326 0.69 GLA (0.48) KMT2AL3MBTL1AGTR1ALDH1A1RECQL
SCHEMBL13100724 0.68 HPGD (0.74) SMN1; SMN2KMT2AALDH1A1HPGDRAB9A
Bromide SCHEMBL1194556 0.68 GLA (0.50) KMT2AL3MBTL1AGTR1ALDH1A1RECQL
SCHEMBL6228373 0.67 ALDH1A1 (0.61) SMN1; SMN2KMT2AALDH1A1HPGDRAB9A
SCHEMBL7505838 0.66 GLA (0.50) SMN1; SMN2KMT2AL3MBTL1ALDH1A1RECQL
Bromide SCHEMBL1194085 0.66 ALDH1A1 (0.64) SMN1; SMN2KMT2AALDH1A1HPGDRAB9A

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-1222171-B1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF TORRENT PHARMACEUTICALS LTD (IN) 2004-02-25 EP claimed