SCHEMBL8926735

SCHEMBL8926735

NCC(=O)c1cn(Cc2ccccc2)c2ccc(C(CC=O)P(=O)(O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.39
PLA2G2A P14555 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SERPINE1 P05121 1/20 0.37

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
SCHEMBL8926985 0.83 PLA2G2A (0.60) PLA2G2A
SCHEMBL8505410 0.73 PLA2G2A (0.54) L3MBTL1MAPK1NPSR1LMNAPLA2G2A
SCHEMBL8924682 0.72 PLA2G2A (0.61) PLA2G2A
SCHEMBL8924465 0.72 PLA2G2A (0.60) PLA2G2A
SCHEMBL8926032 0.72 PLA2G2A (0.61) PLA2G2A
SCHEMBL8926749 0.71 PLA2G2A (0.49) L3MBTL1MAPK1NPSR1MEN1HTT
SCHEMBL8927003 0.70 PLA2G2A (0.62) PLA2G2A
SCHEMBL8926080 0.69 PLA2G2A (0.64) PLA2G2A
SCHEMBL8503352 0.69 PLA2G2A (0.52) L3MBTL1MAPK1LMNAPLA2G2AADORA1
SCHEMBL8924471 0.69 PLA2G2A (0.46) LMNAPLA2G2AALDH1A1

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
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed