SCHEMBL6773052

SCHEMBL6773052

NC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 9/20 0.50
CCR2 P41597 1/20 0.47
PLA2G1B P04054 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PGR P06401 2/20 0.43
ADRA1D P25100 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
F10 P00742 1/20 0.40

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
SCHEMBL6776758 0.94 PLA2G2A (0.50) PLA2G2ACCR2PLA2G1BL3MBTL1ATG4B
SCHEMBL6694433 0.94 PLA2G2A (0.46) PLA2G2APLA2G1BL3MBTL1MAPTALDH1A1
SCHEMBL6776773 0.92 PLA2G2A (0.42) PLA2G2ACCR2PLA2G1BALDH1A1PGR
SCHEMBL6690216 0.92 PLA2G2A (0.43) PLA2G2ACCR2PLA2G1BL3MBTL1ALDH1A1
SCHEMBL6770631 0.91 PLA2G2A (0.46) PLA2G2APLA2G1BL3MBTL1ALDH1A1F10
SCHEMBL6774933 0.88 PLA2G2A (0.42) PLA2G2APLA2G1BF10
SCHEMBL6771677 0.88 PLA2G2A (0.41) PLA2G2ACCR2PLA2G1BL3MBTL1ATG4B
SCHEMBL6690183 0.88 PLA2G2A (0.62) PLA2G2ACCR2PLA2G1BL3MBTL1ATG4B
SCHEMBL6775875 0.88 PLA2G2A (0.40) PLA2G2APLA2G1BADRA1DF10
SCHEMBL6774185 0.88 TP53 (0.47) PLA2G2APLA2G1BL3MBTL1MAPTALDH1A1

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