SCHEMBL8327335

SCHEMBL8327335

Cc1c(NC(=O)C=O)c2ccccn2c1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 2/20 0.42
HTT P42858 3/20 0.41
LMNA P02545 4/20 0.40
KDM4E B2RXH2 6/20 0.38
POLB P06746 3/20 0.38
MAPK1 P28482 2/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 8/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL9080609 0.82 PLA2G1B (0.47) PLA2G1BHTTLMNAKDM4EALDH1A1
SCHEMBL7011452 0.75 PTGS2 (0.51) PLA2G1BHTTLMNAKDM4EPOLB
SCHEMBL9081139 0.73 PLA2G1B (0.45) PLA2G1BHTTALDH1A1
SCHEMBL7013044 0.71 PLA2G1B (0.61) PLA2G1BKDM4EPOLBMAPK1ALOX15
SCHEMBL8025842 0.69 PLA2G1B (0.64) PLA2G1B
SCHEMBL8026001 0.68 PLA2G1B (0.54) PLA2G1B
SCHEMBL3161134 0.68 REN (0.42) LMNAKDM4EPOLBMAPK1ALOX15
SCHEMBL8980129 0.63 L3MBTL1 (0.62) HTTLMNAKDM4EPOLBALDH1A1
SCHEMBL4274975 0.62 HTT (0.51) HTTLMNAKDM4EPOLBMAPK1
SCHEMBL12467693 0.61 ALDH1A1 (0.52) HTTLMNAPOLBMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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