SCHEMBL7013044

SCHEMBL7013044

Cc1c(C(=O)C(N)=O)c2ccccn2c1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 12/20 0.61
PTGS2 P35354 1/20 0.47
PLA2G2A P14555 5/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G5 P39877 1/20 0.47
PLA2G2E Q9NZK7 1/20 0.47
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL7011452 0.86 PTGS2 (0.51) PLA2G1BPTGS2KDM4EMEN1ALDH1A1
SCHEMBL7006970 0.81 PLA2G1B (0.71) PLA2G1BPLA2G2APLA2G10PLA2G5PLA2G2E
SCHEMBL7007751 0.77 PLA2G1B (0.84) PLA2G1BPLA2G2APLA2G10PLA2G5PLA2G2E
SCHEMBL7102348 0.77 PLA2G1B (0.84) PLA2G1BPLA2G2APLA2G10PLA2G5PLA2G2E
SCHEMBL7018369 0.77 PLA2G1B (1.00) PLA2G1BPLA2G2APLA2G10PLA2G5PLA2G2E
SCHEMBL7016187 0.74 PLA2G1B (0.69) PLA2G1BPLA2G2APLA2G10PLA2G5PLA2G2E
SCHEMBL8327335 0.71 PLA2G1B (0.42) PLA2G1BPTGS2KDM4EMEN1ALDH1A1
SCHEMBL7015348 0.71 PLA2G1B (0.57) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL7013238 0.70 PLA2G1B (0.71) PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL7192239 0.69 PLA2G1B (0.64) PLA2G1BPLA2G2APLA2G10PLA2G5PLA2G2E

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
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed