SCHEMBL6777588

SCHEMBL6777588

CCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(Br)c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.40
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 1/20 0.39
PLA2G2A P14555 4/20 0.39
MAPK8 P45983 1/20 0.38
POLB P06746 1/20 0.38
PARP15 Q460N3 2/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
PARP10 Q53GL7 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MIF P14174 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL6773827 0.89 PPARG (0.39) F10PARP1PARP2PLA2G2AMAPK8
SCHEMBL6777696 0.89 PLA2G2A (0.47) PARP1PLA2G2A
SCHEMBL6895193 0.89 POLB (0.39) F10MAPK8POLBERCC5FEN1
SCHEMBL6775492 0.88 PLA2G2A (0.41) F10PARP1PARP2PLA2G2AMAPK8
SCHEMBL6774766 0.88 ALDH1A1 (0.43) F10PARP1PARP2PLA2G2AMAPK8
SCHEMBL6778315 0.88 F10 (0.46) F10PARP1PARP2PLA2G2AMAPK8
SCHEMBL6776827 0.88 PLA2G2A (0.53) F10PLA2G2A
SCHEMBL6774816 0.88 LMNA (0.43) F10PLA2G2AMAPK8POLBFEN1
SCHEMBL6777282 0.87 PLA2G2A (0.41) PLA2G2A
SCHEMBL6773912 0.87 PLA2G2A (0.45) F10PLA2G2A

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