SCHEMBL9530548

SCHEMBL9530548

CSC(=Nc1ccc(C#N)cc1)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
IDO1 P14902 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
MCL1 Q07820 1/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL9530547 1.00 MEN1 (0.48) MEN1KMT2AIDO1NOS3NOS1
SCHEMBL9527879 0.87 IDO1 (0.47) MEN1KMT2AIDO1NOS3NOS1
SCHEMBL10453700 0.81 NOS3 (0.49) MEN1KMT2ANOS3NOS1LOXL2
SCHEMBL10453699 0.81 NOS3 (0.49) MEN1KMT2ANOS3NOS1LOXL2
SCHEMBL10453547 0.80 NOS3 (0.47) MEN1KMT2ANOS3NOS1MAOA
SCHEMBL10453549 0.80 NOS3 (0.47) MEN1KMT2ANOS3NOS1MAOA
SCHEMBL9530153 0.80 ALDH1A1 (0.42) MEN1KMT2ANOS3NOS1EPHX2
SCHEMBL10453554 0.80 MAPT (0.44) NOS3NOS1MAOAMAOBKDM4E
SCHEMBL9532600 0.80 SCN9A (0.41) KMT2ANOS3NOS1ALDH1A1HPGD
SCHEMBL10453550 0.77 NOS3 (0.44) MEN1KMT2AIDO1NOS3NOS1

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