SCHEMBL9045774

SCHEMBL9045774

N/C(=N\O)c1ccccc1[C]=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.37
GFER P55789 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL1423398 0.80 GAA (0.46) GAALMNAL3MBTL1NPC1RAB9A
SCHEMBL1423395 0.80 GAA (0.46) GAALMNAL3MBTL1NPC1RAB9A
SCHEMBL2171273 0.77 NPC1 (0.60) GAALMNAL3MBTL1NPC1RAB9A
SCHEMBL11594420 0.77 NPC1 (0.60) GAALMNAL3MBTL1NPC1RAB9A
SCHEMBL6808280 0.75 NPC1 (0.40) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL2647370 0.72 GAA (0.50) GAALMNAL3MBTL1NPC1RAB9A
SCHEMBL10973175 0.72 KDM4E (0.52) GAALMNAL3MBTL1NPC1RAB9A
SCHEMBL29757324 0.71 ALDH1A1 (0.61) GAALMNAL3MBTL1MAPTGFER
SCHEMBL4684957 0.71 NPC1 (0.38) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL1343391 0.70 GAA (0.52) GAALMNAL3MBTL1NPC1RAB9A

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-0708775-A1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1996-05-01 EP disclosed