SCHEMBL9529332

SCHEMBL9529332

CS/C(=N\c1ccc(C#N)cc1)NC1CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 3/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
EPHX2 P34913 2/20 0.42
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 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
SCHEMBL9528814 1.00 EPHX1 (0.52) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL10453854 1.00 EPHX1 (0.52) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL10453587 1.00 EPHX1 (0.52) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL10453853 1.00 EPHX1 (0.52) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL9528808 1.00 EPHX1 (0.52) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL9529338 1.00 EPHX1 (0.52) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL10453586 1.00 EPHX1 (0.52) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL9528763 0.85 NOS3 (0.40) EPHX1NPC1RAB9AMEN1HTT
SCHEMBL9529169 0.82 IDO1 (0.47) EPHX1NPC1RAB9ANOS3NOS1
SCHEMBL2740875 0.81 NPC1 (0.57) EPHX1NPC1RAB9AMEN1HTT

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