SCHEMBL6986527

SCHEMBL6986527

COc1ccc(NC(=O)O)c(C(=O)NCCc2ccc(N=C(N)c3cccs3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.47
TOP2A P11388 1/20 0.47
NOS3 P29474 3/20 0.47
NOS2 P35228 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6986511 1.00 NOS1 (0.47) NOS1TOP2ANOS3NOS2SMN1; SMN2
SCHEMBL4404169 0.90 NOS1 (0.44) NOS1TOP2ANOS3NOS2SMN1; SMN2
SCHEMBL4404168 0.90 NOS1 (0.44) NOS1TOP2ANOS3NOS2SMN1; SMN2
SCHEMBL4399594 0.88 NOS1 (0.50) NOS1NOS3NOS2SMN1; SMN2HPGD
SCHEMBL4399592 0.88 NOS1 (0.50) NOS1NOS3NOS2SMN1; SMN2HPGD
SCHEMBL4400410 0.85 NOS1 (0.49) NOS1NOS3NOS2SMN1; SMN2HPGD
SCHEMBL4400407 0.85 NOS1 (0.49) NOS1NOS3NOS2SMN1; SMN2HPGD
SCHEMBL6986549 0.77 NOS1 (0.49) NOS1NOS3NOS2HPGDALDH1A1
SCHEMBL6957505 0.77 NPC1 (0.60) NOS1NOS3NOS2SMN1; SMN2NPC1
SCHEMBL4626400 0.76 NOS1 (0.52) NOS1NOS3NOS2SMN1; SMN2NPC1

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-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP claimed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 WO claimed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 US disclosed
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP disclosed
EP-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 WO disclosed