SCHEMBL6775875

SCHEMBL6775875

NC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.40
F10 P00742 2/20 0.40
PARP1 P09874 3/20 0.39
PLA2G1B P04054 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CFTR P13569 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
PLA2G10 O15496 1/20 0.38
MAPK8 P45983 1/20 0.38
ADRA1D P25100 1/20 0.38
CYP19A1 P11511 1/20 0.38
FAAH O00519 1/20 0.38
TP53 P04637 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 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
SCHEMBL6770631 0.91 PLA2G2A (0.46) PLA2G2AF10PARP1PLA2G1BERCC5
SCHEMBL6694433 0.91 PLA2G2A (0.46) PLA2G2APARP1PLA2G1BPLA2G10ADRA1D
SCHEMBL6776710 0.91 PLA2G2A (0.41) PLA2G2AF10PARP1PLA2G1BPARP2
SCHEMBL6774933 0.88 PLA2G2A (0.42) PLA2G2AF10PLA2G1BPLA2G10
SCHEMBL6778315 0.88 F10 (0.46) PLA2G2AF10PARP1PARP2ERCC5
SCHEMBL6774185 0.88 TP53 (0.47) PLA2G2AF10PARP1PLA2G1BPARP2
SCHEMBL6773052 0.88 PLA2G2A (0.50) PLA2G2AF10PLA2G1BADRA1D
SCHEMBL6770537 0.88 FABP3 (0.41) PLA2G2AF10PLA2G1BFEN1PLA2G10
SCHEMBL6889569 0.87 MAPK8 (0.43) PLA2G2APLA2G1BCFTRMAPK8CYP19A1
SCHEMBL6775492 0.86 PLA2G2A (0.41) PLA2G2AF10PARP1PARP2ERCC5

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