SCHEMBL9527879

SCHEMBL9527879

CSC(=Nc1ccc(C#N)cc1)NCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
ABCB1 P08183 1/20 0.46
HPGD P15428 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
CNR1 P21554 1/20 0.41
RAB9A P51151 3/20 0.40
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
NPC1 O15118 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TMEM97 Q5BJF2 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
SCHEMBL9530548 0.87 MEN1 (0.48) IDO1HPGDMAOAMAOBNOS3
SCHEMBL9530547 0.87 MEN1 (0.48) IDO1HPGDMAOAMAOBNOS3
SCHEMBL9528126 0.86 IDO1 (0.57) IDO1HPGDMAOAMAOBRAB9A
SCHEMBL10453700 0.79 NOS3 (0.49) HPGDNOS3NOS1SMN1; SMN2MEN1
SCHEMBL10453699 0.79 NOS3 (0.49) HPGDNOS3NOS1SMN1; SMN2MEN1
SCHEMBL10453760 0.79 NOS3 (0.43) NOS3NOS1RAB9ANPC1SMN1; SMN2
SCHEMBL10453761 0.79 NOS3 (0.43) NOS3NOS1RAB9ANPC1SMN1; SMN2
SCHEMBL10453547 0.78 NOS3 (0.47) MAOAMAOBNOS3NOS1SIGMAR1
SCHEMBL10453549 0.78 NOS3 (0.47) MAOAMAOBNOS3NOS1SIGMAR1
SCHEMBL9529440 0.78 MGLL (0.51) NOS3NOS1SMN1; SMN2

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-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
US-4921939-A GUANIDINE AND AMIDINE COMPOUNDS CONTAINING ACID GROUPS UNIVERSITE CLAUDE BERNARD -LYON 1 (FR) 1990-05-01 US disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed
EP-0241395-A2 Sweeteners derived from n-phenylguanidinoacetic and n-phenylethananamidinacetic acids, and compositions containing such sweeteners UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1987-10-14 EP disclosed