SCHEMBL9529344

SCHEMBL9529344

CSC(=NC1CCCCCCC1)Nc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TSHR P16473 2/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PAX8 Q06710 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ABCC9 O60706 2/20 0.39
KCNJ11 Q14654 2/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
CXCR4 P61073 1/20 0.38
TRPA1 O75762 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
NLRP3 Q96P20 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
SCHEMBL10453589 1.00 EPHX1 (0.50) EPHX1TSHRMAOAMAOBPAX8
SCHEMBL9528819 1.00 EPHX1 (0.50) EPHX1TSHRMAOAMAOBPAX8
SCHEMBL10453855 1.00 EPHX1 (0.50) EPHX1TSHRMAOAMAOBPAX8
SCHEMBL9528719 0.86 PKM (0.39) EPHX1TSHRPAX8ABCC9KCNJ11
SCHEMBL10453439 0.82 IDO1 (0.45) TSHRNPC1RAB9AHTTMEN1
SCHEMBL10453290 0.82 TSHR (0.41) EPHX1TSHRMAOAMAOBNPC1
SCHEMBL9529175 0.81 NAMPT (0.45) EPHX1TSHRPAX8ABCC9KCNJ11
SCHEMBL9530604 0.81 EPHX1 (0.42) EPHX1TSHRMAOAMAOBPAX8
SCHEMBL10452542 0.80 EPHX1 (0.47) EPHX1TSHRMAOAMAOBPAX8
SCHEMBL9527776 0.80 EPHX1 (0.47) EPHX1TSHRMAOAMAOBPAX8

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