SCHEMBL9529415

SCHEMBL9529415

CSC(=NC1CC2CCC1C2)Nc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
SIGMAR1 Q99720 6/20 0.43
PGR P06401 2/20 0.38
EPHX1 P07099 1/20 0.38
ABCC9 O60706 2/20 0.36
KCNJ11 Q14654 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9530604 0.77 EPHX1 (0.42) EPHX2PGREPHX1ABCC9KCNJ11
SCHEMBL10453855 0.76 EPHX1 (0.50) EPHX2EPHX1ABCC9KCNJ11NPC1
SCHEMBL10453589 0.76 EPHX1 (0.50) EPHX2EPHX1ABCC9KCNJ11NPC1
SCHEMBL9528819 0.76 EPHX1 (0.50) EPHX2EPHX1ABCC9KCNJ11NPC1
SCHEMBL9529344 0.76 EPHX1 (0.50) EPHX2EPHX1ABCC9KCNJ11NPC1
SCHEMBL9528719 0.74 PKM (0.39) EPHX2EPHX1ABCC9KCNJ11MAPT
SCHEMBL9529412 0.73 HSD17B10 (0.40) EPHX2SIGMAR1NPC1RAB9AGRIN2D
SCHEMBL10453334 0.72 P2RX7 (0.48) EPHX2SIGMAR1PGRABCC9KCNJ11
SCHEMBL9529175 0.72 NAMPT (0.45) EPHX1ABCC9KCNJ11MEN1KMT2A
SCHEMBL9529457 0.72 ABCC9 (0.46) ABCC9KCNJ11RAB9AMEN1KMT2A

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