SCHEMBL8385403

SCHEMBL8385403

COc1ccc(C[C@H](NS(=O)(=O)c2cccc3cccnc23)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.58
HTT P42858 1/20 0.58
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGAV P06756 1/20 0.54
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GLO1 Q04760 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL8650770 1.00 TP53 (0.58) TP53HTTGAAMAPTNPSR1
SCHEMBL14135841 0.87 MAPT (0.60) TP53HTTGAAMAPTNPSR1
SCHEMBL5098994 0.79 NTSR1 (0.58) TP53HTTGAAMAPTNPSR1
SCHEMBL5099014 0.79 NTSR1 (0.58) TP53HTTGAAMAPTNPSR1
Phenanthroline SCHEMBL27819826 0.79 MAPT (0.54) HTTGAAMAPTNPSR1ITGB3
SCHEMBL3927035 0.79 BACE1 (0.54) TP53GAAMAPTNPSR1ITGB3
SCHEMBL7217344 0.78 MAPT (0.53) GAAMAPTNPSR1ITGB3ITGAV
SCHEMBL8539708 0.78 GAA (0.52) HTTGAAMAPTNPSR1ITGB3
Hydrochloric Acid SCHEMBL7657489 0.78 GAA (0.52) HTTGAAMAPTNPSR1ITGB3
SCHEMBL27995018 0.78 GAA (0.52) HTTGAAMAPTNPSR1ITGB3

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-0614911-B1 Compounds having a sulfonamide and an amidinegroup, process for preparation and pharmaceutical compositions comprising them SANOFI SA (FR) 1999-04-28 EP disclosed
US-5714497-A EXHIBIT AFFINITY FOR BIOLOGICAL RECEPTORS OF NEUROPEPTIDE Y SANOFI (FR) 1998-02-03 US disclosed
US-5674890-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; PSYCHOLOGICAL DISORDERS; ANTAGONISTS OF PEPTIDE Y SANOFI (FR) 1997-10-07 US disclosed
US-5506258-A EXHIBIT AFFINITY FOR THE BIOLOGICAL RECEPTORS OF NEUROPEPTIDES Y, WHICH ARE PRESENT IN THE CENTRAL AND PERIPHERAL NERVOUS SYSTEMS ELF SANOFI (FR) 1996-04-09 US disclosed
EP-0614911-A1 Compounds having a sulfonamide and an amidinegroup, process for preparation and pharmaceutical compositions comprising them SANOFI (FR) 1994-09-14 EP disclosed