SCHEMBL6889876

SCHEMBL6889876

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.44
MAPK9 P45984 3/20 0.44
MAPK10 P53779 3/20 0.44
DRD2 P14416 1/20 0.41
TBXA2R P21731 1/20 0.41
MCL1 Q07820 6/20 0.41
BAD Q92934 6/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 2/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G2A P14555 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL6895068 0.92 MAPK8 (0.47) MAPK8MAPK9MAPK10MCL1BAD
SCHEMBL6887896 0.90 MAPT (0.44) DRD2TBXA2RSLC6A4SLC6A3MAPT
SCHEMBL6897905 0.89 DRD2 (0.43) DRD2TBXA2RSLC6A4SLC6A3MAPT
SCHEMBL6776015 0.89 MCL1 (0.44) MCL1BADMAPTPLA2G1BPLA2G2A
SCHEMBL6889740 0.88 SLC6A4 (0.41) MAPK8DRD2TBXA2RSLC6A4SLC6A3
SCHEMBL6896346 0.88 SLC6A3 (0.41) DRD2TBXA2RSLC6A4SLC6A3MAPT
SCHEMBL6690879 0.88 DRD2 (0.47) DRD2TBXA2RSLC6A4SLC6A3MAPT
SCHEMBL6894724 0.87 SLC6A3 (0.48) DRD2TBXA2RSLC6A4SLC6A3MAPT
SCHEMBL6891577 0.86 DRD2 (0.47) DRD2TBXA2RSLC6A4SLC6A3KMT2A
SCHEMBL6895138 0.86 HSP90AA1 (0.43) MAPK8MAPK9DRD2TBXA2RSLC6A4

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