SCHEMBL6776758

SCHEMBL6776758

NC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.50
PLA2G1B P04054 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ADRA1D P25100 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CCR2 P41597 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 0.41
F10 P00742 2/20 0.40
PGR P06401 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAPK8 P45983 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
SCHEMBL6773052 0.94 PLA2G2A (0.50) PLA2G2APLA2G1BL3MBTL1ATG4BADRA1D
SCHEMBL6690216 0.94 PLA2G2A (0.43) PLA2G2APLA2G1BL3MBTL1ADRA1DCCR2
SCHEMBL6776773 0.92 PLA2G2A (0.42) PLA2G2APLA2G1BCCR2ALDH1A1PGR
SCHEMBL6775434 0.91 ADRA1D (0.46) PLA2G2APLA2G1BL3MBTL1ATG4BADRA1D
SCHEMBL6772770 0.91 PLA2G2A (0.41) PLA2G2APLA2G1BL3MBTL1ATG4BADRA1D
SCHEMBL6776710 0.91 PLA2G2A (0.41) PLA2G2APLA2G1BL3MBTL1ATG4BADRA1D
SCHEMBL6771677 0.90 PLA2G2A (0.41) PLA2G2APLA2G1BL3MBTL1ATG4BADRA1D
SCHEMBL6775268 0.88 ADRA1D (0.48) PLA2G2AADRA1DCCR2GRIN1GRIN2B
SCHEMBL6775381 0.88 PPARG (0.44) PLA2G2APLA2G1BL3MBTL1ATG4BMAPT
SCHEMBL6772036 0.88 CCR2 (0.41) PLA2G2ACCR2F10

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