SCHEMBL4676789

SCHEMBL4676789

O=[N+]([O-])c1ccc(NC2CC[N]CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.73
LMNA P02545 2/20 0.73
POLB P06746 1/20 0.73
GAA P10253 1/20 0.73
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 4/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX1 P07099 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
MAPK1 P28482 1/20 0.44
BLM P54132 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
SCHEMBL7711892 0.88 MAPT (0.86) MAPTLMNAPOLBGAANAMPT
SCHEMBL3477664 0.84 MAPT (1.00) MAPTLMNAPOLBGAANAMPT
SCHEMBL29757387 0.84 MAPT (0.93) MAPTLMNAPOLBGAANAMPT
SCHEMBL16755954 0.83 MAPT (0.96) MAPTLMNAPOLBGAANAMPT
SCHEMBL3477702 0.83 MAPT (0.96) MAPTLMNAPOLBGAANAMPT
SCHEMBL2708330 0.80 MAPT (0.73) MAPTLMNAPOLBGAANAMPT
SCHEMBL4711574 0.80 MAPT (0.73) MAPTLMNAPOLBGAANAMPT
SCHEMBL4711576 0.80 MAPT (0.73) MAPTLMNAPOLBGAANAMPT
Hydrochloric Acid SCHEMBL29847576 0.79 MAPT (0.71) MAPTLMNAPOLBGAANAMPT
Hydrochloric Acid SCHEMBL16514506 0.79 MAPT (0.71) MAPTLMNAPOLBGAANAMPT

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-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed