SCHEMBL9530153

SCHEMBL9530153

CSC(=Nc1ccc(C#N)cc1)NCc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 3/20 0.42
SCN9A Q15858 1/20 0.41
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
PTPN7 P35236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.37

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 0.80 MEN1 (0.48) ALDH1A1KDM4ENOS3NOS1KMT2A
SCHEMBL9530547 0.80 MEN1 (0.48) ALDH1A1KDM4ENOS3NOS1KMT2A
SCHEMBL9532600 0.78 SCN9A (0.41) ALDH1A1SCN9ANOS3NOS1KMT2A
SCHEMBL10453699 0.77 NOS3 (0.49) ALDH1A1KDM4ENOS3NOS1KMT2A
SCHEMBL10453700 0.77 NOS3 (0.49) ALDH1A1KDM4ENOS3NOS1KMT2A
SCHEMBL9530157 0.74 GAA (0.49) ALDH1A1POLBL3MBTL1SMN1; SMN2GAA
SCHEMBL9527879 0.72 IDO1 (0.47) NOS3NOS1KMT2AMAPTMEN1
SCHEMBL9529469 0.72 NOS3 (0.53) ALDH1A1KDM4ENOS3NOS1MAPT
SCHEMBL10453761 0.72 NOS3 (0.43) ALDH1A1NOS3NOS1KMT2AMAPT
SCHEMBL9528898 0.72 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2AMAPTMEN1

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 3 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
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