SCHEMBL6775902

SCHEMBL6775902

NC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G5 P39877 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
SUCNR1 Q9BXA5 2/20 0.39
MCL1 Q07820 2/20 0.39
BAD Q92934 2/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
PPARG P37231 3/20 0.38
CYP2C19 P33261 1/20 0.38
BCAT2 O15382 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
SCHEMBL6775731 0.94 PLA2G2A (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5MCL1
SCHEMBL6777226 0.89 ADRA1D (0.43) PLA2G2AIKBKBCHUK
SCHEMBL6894724 0.89 SLC6A3 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5PTGDR2
SCHEMBL6690216 0.88 PLA2G2A (0.43) PLA2G2APLA2G1BIKBKBCHUKPPARG
SCHEMBL6770388 0.88 PLA2G2A (0.41) PLA2G2APLA2G1BIKBKBCHUKPPARG
SCHEMBL6770301 0.87 PLA2G2A (0.41) PLA2G2A
SCHEMBL6782583 0.87 ALDH1A1 (0.41) SUCNR1IKBKBCHUK
SCHEMBL6771780 0.87 IKBKB (0.37) PLA2G2AIKBKBCHUK
SCHEMBL6776614 0.87 PLA2G2A (0.44) PLA2G2ACYP2C19
SCHEMBL7954333 0.87 PLA2G2A (0.54) PLA2G2APLA2G10PLA2G1BPLA2G5PTGDR2

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