SCHEMBL6911054

SCHEMBL6911054

CCOC(=O)C[n+]1cccc(C(=O)NNS(C)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
HTT P42858 1/20 0.46
POLB P06746 1/20 0.42
HSP90AA1 P07900 5/20 0.41
ALDH1A1 P00352 3/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PABPC1 P11940 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KAT6A Q92794 1/20 0.37
LMNA P02545 1/20 0.37

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 SCHEMBL1194002 0.99 GLA (0.53) GLAHTTPOLBHSP90AA1ALDH1A1
Bromide SCHEMBL1194102 0.85 KAT6A (0.54) GLAHTTALDH1A1KMT2AMEN1
SCHEMBL6224184 0.85 GAA (0.53) GLAPOLBHSP90AA1ALDH1A1KMT2A
SCHEMBL6229503 0.85 GLA (0.49) GLAHTTPOLBHSP90AA1KMT2A
Bromide SCHEMBL1194435 0.84 GAA (0.52) GLAPOLBHSP90AA1ALDH1A1KMT2A
Bromide SCHEMBL1194675 0.84 GLA (0.51) GLAHTTPOLBHSP90AA1KMT2A
SCHEMBL1194164 0.82 GLA (0.53) GLAHTTPOLBHSP90AA1ALDH1A1
Bromide SCHEMBL7113514 0.82 GLA (0.48) GLAHTTPOLBHSP90AA1KMT2A
Bromide SCHEMBL7695782 0.82 GLA (0.48) GLAHTTPOLBHSP90AA1ALDH1A1
SCHEMBL6909963 0.81 GLA (0.57) GLAHTTHSP90AA1ALDH1A1RECQL

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 5 patents. 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
EP-1222171-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Torrent Pharmaceuticals Ltd (IN) 2002-07-17 EP claimed
WO-2001025208-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANKARANARAYANAN ALANGUDI (IN) 2001-04-12 WO claimed
EP-1222171-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF Torrent Pharmaceuticals Ltd (IN) 2002-07-17 EP disclosed
WO-2001025208-A1 PYRIDINIUM DERIVATIVES FOR THE MANAGEMENT OF AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANKARANARAYANAN ALANGUDI (IN) 2001-04-12 WO disclosed