SCHEMBL6894500

SCHEMBL6894500

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
EGFR P00533 1/20 0.37
NR4A2 P43354 1/20 0.37
MAPK8 P45983 1/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 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
SCHEMBL6896346 0.92 SLC6A3 (0.41) PTGDR2HSP90AA1HSP90B1HPGDALDH1A1
SCHEMBL6891733 0.89 MAPT (0.43) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6894747 0.89 PLA2G2A (0.44) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL6894986 0.89 HSP90AA1 (0.38) PTGDR2HSP90AA1HSP90B1HPGDALDH1A1
SCHEMBL6888996 0.88 TSHR (0.46) PTGDR2HSP90AA1HSP90B1HPGDALDH1A1
SCHEMBL6894204 0.88 L3MBTL1 (0.44) HSP90AA1HSP90B1ALDH1A1MEN1KMT2A
SCHEMBL6894916 0.88 MAPT (0.45) HSP90AA1HSP90B1HPGDALDH1A1MEN1
SCHEMBL6892130 0.88 HSP90AA1 (0.38) PTGDR2HSP90AA1HSP90B1HPGDALDH1A1
SCHEMBL6782214 0.88 PARP1 (0.39) MAPK8FEN1
SCHEMBL6694644 0.87 AR (0.45) ALDH1A1MEN1KMT2AKDM4EEGFR

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