SCHEMBL6776217

SCHEMBL6776217

NC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1ccccc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 10/20 0.44
PLA2G1B P04054 3/20 0.44
PTPN1 P18031 1/20 0.41
PLA2G10 O15496 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
BCL2 P10415 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ADRA1D P25100 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PARP1 P09874 1/20 0.35
SERPINE1 P05121 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL6770388 0.93 PLA2G2A (0.41) PLA2G2APLA2G1BPTPN1CA1CA2
SCHEMBL6692861 0.89 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10BCL2BCL2L1
SCHEMBL6694433 0.89 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10ADRA1DPARP1
SCHEMBL6775713 0.89 PLA2G2A (0.43) PLA2G2APLA2G1BPLA2G10BCL2BCL2L1
SCHEMBL6774933 0.88 PLA2G2A (0.42) PLA2G2APLA2G1BPTPN1PLA2G10ACMSD
SCHEMBL6777361 0.88 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10PARP1PLA2G5
SCHEMBL6776234 0.88 PLA2G2A (0.47) PLA2G2APLA2G1BPLA2G10BCL2BCL2L1
SCHEMBL6895052 0.88 PLA2G1B (0.42) PLA2G2APLA2G1BPTPN1HSP90AA1
SCHEMBL6775731 0.87 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10PLA2G5
SCHEMBL6770631 0.87 PLA2G2A (0.46) PLA2G2APLA2G1BPLA2G10ACMSDJAK2

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
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed