SCHEMBL6948271

SCHEMBL6948271

NCc1ccc(C=NN)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
HRH3 Q9Y5N1 1/20 0.46
LOXL2 Q9Y4K0 6/20 0.44
ABAT P80404 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MAPT P10636 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
PSIP1 O75475 1/20 0.39

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
Hydrochloric Acid SCHEMBL7719897 0.98 MAOB (0.52) MAOBHRH3LOXL2ABATCA1
SCHEMBL7815094 0.82 MAOB (0.50) MAOBLOXL2CA1CA2CA7
SCHEMBL6779811 0.82 MAOB (0.74) MAOBCA1CA2CA7CA9
SCHEMBL5666445 0.82 MAOB (0.74) MAOBCA1CA2CA7CA9
Hydrochloric Acid SCHEMBL8173515 0.80 MAOB (0.48) MAOBLOXL2CA1CA2CA7
SCHEMBL6846674 0.79 MAOB (0.58) MAOBCA1CA2CA7CA9
SCHEMBL8274182 0.79 NPC1 (0.47) HRH3LOXL2ABATMAPTNOS3
SCHEMBL7818544 0.79 MAOB (0.47) MAOBCA1CA2CA7CA9
Hydrochloric Acid SCHEMBL8173505 0.77 MAOB (0.45) MAOBCA1CA2CA7CA9
SCHEMBL19849879 0.76 MAOB (0.48) MAOBCA1CA2CA7CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944618-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER IND & SANTE (FR) 2003-09-24 EP disclosed
EP-0991650-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER IND & SANTE (FR) 2003-09-10 EP disclosed
EP-0991650-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 2000-04-12 EP disclosed
EP-0944618-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-09-29 EP disclosed
WO-1999000387-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 1999-01-07 WO disclosed
WO-1998024783-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1998-06-11 WO disclosed