SCHEMBL21547549

SCHEMBL21547549

CCN(CC)/C(C)=N\c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.50
NOS1 P29475 4/20 0.50
NOS2 P35228 2/20 0.44
HTR3E A5X5Y0 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL28912579 0.78 NOS3 (0.43) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL6157663 0.78 NOS1 (0.54) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL10341784 0.77 L3MBTL1 (0.49) NOS3NOS1NOS2GAALMNA
SCHEMBL14975956 0.76 KMT2A (0.49) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL14975958 0.76 KMT2A (0.49) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL7260907 0.76 NOS1 (0.56) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL7260909 0.76 NOS1 (0.56) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL12562475 0.75 NOS3 (0.41) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL11662896 0.74 NOS3 (0.41) NOS3NOS1NOS2HTR3ESLC22A2
SCHEMBL10685588 0.73 NOS3 (0.40) NOS3NOS1NOS2HTR3ESLC22A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616513-B1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECH CO (SA) 2019-11-06 EP disclosed