SCHEMBL5173283

SCHEMBL5173283

ON=Nc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.46
AOC3 Q16853 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
DAO P14920 2/20 0.44
HPGD P15428 2/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DDO Q99489 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
CYP2A6 P11509 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39

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
SCHEMBL29657968 0.87 AOC3 (0.52) FLT3AOC3KDM4EMAPTDAO
Benzene SCHEMBL11500406 0.85 NPC1 (0.52) FLT3AOC3KDM4EMAPTDAO
SCHEMBL1002265 0.80 AOC3 (0.45) FLT3AOC3KDM4EMAPTDAO
SCHEMBL1002262 0.80 AOC3 (0.45) FLT3AOC3KDM4EMAPTDAO
SCHEMBL6654107 0.79 AOC3 (0.52) FLT3AOC3KDM4EMAPTDAO
SCHEMBL6249932 0.78 ALDH1A1 (0.46) FLT3AOC3KDM4EMAPTDAO
SCHEMBL5598773 0.75 AOC3 (0.48) FLT3AOC3KDM4EMAPTDAO
SCHEMBL2775635 0.75 FLT3 (0.48) FLT3AOC3KDM4EMAPTDAO
SCHEMBL11356701 0.74 IDO1 (0.42) FLT3AOC3KDM4EMAPTDAO
SCHEMBL3900366 0.71 AOC3 (0.37) FLT3AOC3KDM4EMAPTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202963-B1 SPLA2 INHIBITORS LILLY CO ELI (US) 2007-01-03 EP disclosed
EP-1144305-A4 NOVEL sPLA 2 INHIBITORS LILLY CO ELI (US) 2004-11-10 EP disclosed
US-6391908-B1 ANTIINFLAMMATORY AGENTS; THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2002-05-21 US disclosed
EP-1144305-A1 NOVEL sPLA 2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-10-17 EP disclosed
WO-2000037358-A1 NOVEL sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2000-06-29 WO disclosed