SCHEMBL9529412

SCHEMBL9529412

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
EPHX2 P34913 2/20 0.38
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
DPP4 P27487 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PANK3 Q9H999 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL9528763 0.78 NOS3 (0.40) NOS3NOS1EPHX2MAPTSMN1; SMN2
SCHEMBL10453587 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL9528808 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL10453854 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL10453586 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL9529332 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL9529338 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL9528814 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL10453853 0.76 EPHX1 (0.52) HSD17B10NOS3NOS1EPHX2MAPT
SCHEMBL945076 0.75 MAPT (0.44) HSD17B10EPHX2MAPTALDH1A1HPGD

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