SCHEMBL6909963

SCHEMBL6909963

CS(=O)(=O)NNC(=O)c1ccc[n+](CC(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
KMT2A Q03164 4/20 0.57
PABPC1 P11940 1/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 4/20 0.52
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
ADRB2 P07550 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HSP90AA1 P07900 2/20 0.46
HTT P42858 1/20 0.46
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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 SCHEMBL1194019 0.99 GLA (0.60) GLAKMT2APABPC1ATMALDH1A1
SCHEMBL6225999 0.88 ALDH1A1 (0.57) GLAKMT2APABPC1ATMALDH1A1
Bromide SCHEMBL1193847 0.87 ALDH1A1 (0.59) GLAKMT2APABPC1ATMALDH1A1
SCHEMBL6905278 0.86 KAT6A (0.62) GLAKMT2APABPC1ATMALDH1A1
SCHEMBL6230381 0.85 KMT2A (0.51) GLAKMT2APABPC1ATMALDH1A1
Bromide SCHEMBL1194389 0.85 KAT6A (0.61) GLAKMT2APABPC1ATMALDH1A1
Bromide SCHEMBL1193689 0.84 KMT2A (0.53) GLAKMT2APABPC1ATMALDH1A1
SCHEMBL6225447 0.83 RAB9A (0.42) GLAKMT2APABPC1ATMALDH1A1
SCHEMBL30206621 0.83 RAB9A (0.42) GLAKMT2APABPC1ATMALDH1A1
Bromide SCHEMBL1194277 0.82 GLA (0.42) GLAKMT2APABPC1ATMALDH1A1

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