SCHEMBL9529169

SCHEMBL9529169

CSC(=Nc1ccc(C#N)cc1)NC1Cc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
GRM7 Q14831 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 2/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
EPHX1 P07099 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL9529338 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL10453587 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL9528808 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL10453854 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL9529332 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL10453586 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL10453853 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL9528814 0.82 EPHX1 (0.52) NOS3NOS1SMN1; SMN2HRH3EPHX2
SCHEMBL9528123 0.80 ALDH1A1 (0.50) NOS3NOS1LMNAEPHX2ALDH1A1
SCHEMBL10452499 0.80 ALDH1A1 (0.50) NOS3NOS1LMNAEPHX2ALDH1A1

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 2 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