SCHEMBL9527682

SCHEMBL9527682

N#Cc1ccc(N=C=NC2CCCCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
HIF1A Q16665 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1B1 Q16678 1/20 0.34
CYP19A1 P11511 3/20 0.34
TSHR P16473 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL2049503 0.88 EPHX1 (0.58) EPHX1HIF1AALDH1A1KMT2A
SCHEMBL1007488 0.79 EPHX1 (0.48) EPHX1HIF1AALDH1A1NPC1RAB9A
SCHEMBL10453742 0.79 EPHX1 (0.52) EPHX1HIF1AALDH1A1TSHR
SCHEMBL28215461 0.77 EPHX1 (0.48) EPHX1HIF1AALDH1A1
SCHEMBL11161236 0.76 EPHX1 (0.48) EPHX1HIF1AALDH1A1MEN1KMT2A
SCHEMBL29034357 0.75 EPHX1 (0.44) EPHX1HIF1AALDH1A1KMT2A
SCHEMBL3278282 0.75 HIF1A (0.44) EPHX1HIF1AALDH1A1HRH3NPC1
Dicyclohexylcarbodiimide SCHEMBL7062217 0.75 EPHX1 (0.52) EPHX1HIF1AALDH1A1NPC1RAB9A
SCHEMBL16946897 0.73 POLB (0.43) EPHX1HIF1ANOS1MEN1KMT2A
Dicyclohexylcarbodiimide SCHEMBL28535893 0.69 EPHX1 (0.94) EPHX1HIF1AALDH1A1

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