SCHEMBL6696674

SCHEMBL6696674

NC(=O)c1cccc2c1c1c(O)cccc1n2Cc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.42
PLA2G2A P14555 2/20 0.42
CA5A P35218 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE4A P27815 5/20 0.37
PDE7A Q13946 5/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
KMT2A Q03164 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
SCHEMBL6693619 0.87 ALDH1A1 (0.47) MAPK8PLA2G2AKDM4EALDH1A1MAPT
SCHEMBL6691976 0.86 AURKA (0.42) MAPK8PLA2G2AKDM4EALDH1A1MAPT
SCHEMBL6691708 0.84 LMNA (0.48) MAPK8PLA2G2AKDM4EALDH1A1MAPT
SCHEMBL6693698 0.84 LMNA (0.43) PLA2G2AKDM4EALDH1A1MAPTHPGD
SCHEMBL5212989 0.81 PLA2G2A (0.58) PLA2G2AKDM4EALDH1A1MAPTHPGD
SCHEMBL6691129 0.81 F10 (0.46) MAPK8PLA2G2AALDH1A1LMNA
SCHEMBL29029791 0.81 CA5A (0.37) MAPK8PLA2G2ACA5AKDM4EALDH1A1
SCHEMBL2590504 0.80 CA5A (0.38) MAPK8PLA2G2ACA5AKDM4EALDH1A1
SCHEMBL30410857 0.80 PLA2G2A (0.49) PLA2G2A
SCHEMBL817427 0.80 PLA2G2A (0.49) PLA2G2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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