SCHEMBL6894747

SCHEMBL6894747

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G1B P04054 1/20 0.44
PLA2G5 P39877 1/20 0.44
EGFR P00533 1/20 0.43
SLC6A3 Q01959 3/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PLEC Q15149 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL6894724 0.94 SLC6A3 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6894528 0.92 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6689220 0.91 PLA2G2A (0.47) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6890366 0.91 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6891733 0.90 MAPT (0.43) PLA2G2AEGFRMEN1KMT2AMAPT
SCHEMBL6896741 0.89 PLA2G2A (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5EGFR
SCHEMBL6894204 0.89 L3MBTL1 (0.44) EGFRMEN1KMT2AMAPTALDH1A1
SCHEMBL6894916 0.89 MAPT (0.45) PLA2G2AMEN1KMT2AMAPTTDP1
SCHEMBL6894500 0.89 PTGDR2 (0.39) EGFRSLC6A3MEN1KMT2AALDH1A1
SCHEMBL6694644 0.88 AR (0.45) PLA2G2AEGFRMEN1KMT2AMAPT

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