SCHEMBL6894724

SCHEMBL6894724

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.48
SLC6A4 P31645 1/20 0.48
EGFR P00533 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
PLA2G2A P14555 6/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G1B P04054 1/20 0.41
PLA2G5 P39877 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.40
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
PPARG P37231 2/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6894747 0.94 PLA2G2A (0.44) SLC6A3SLC6A4EGFRPLA2G2APLA2G10
SCHEMBL6887896 0.90 MAPT (0.44) SLC6A3SLC6A4PLA2G2ADRD2TBXA2R
SCHEMBL6690879 0.89 DRD2 (0.47) SLC6A3SLC6A4PLA2G2ADRD2TBXA2R
SCHEMBL6775902 0.89 PLA2G2A (0.42) PTGDR2PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL6897905 0.89 DRD2 (0.43) SLC6A3SLC6A4PLA2G2ADRD2TBXA2R
SCHEMBL6895138 0.88 HSP90AA1 (0.43) SLC6A3SLC6A4PLA2G2APLA2G1BDRD2
SCHEMBL6896346 0.88 SLC6A3 (0.41) SLC6A3SLC6A4PTGDR2DRD2TBXA2R
SCHEMBL6889740 0.88 SLC6A4 (0.41) SLC6A3SLC6A4SUCNR1DRD2TBXA2R
SCHEMBL6894303 0.88 DRD2 (0.44) SLC6A3SLC6A4EGFRPLA2G2APLA2G1B
SCHEMBL6894916 0.88 MAPT (0.45) PLA2G2AMAPTKDM4EMEN1ALDH1A1

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