SCHEMBL6776400

SCHEMBL6776400

NC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
MAPK10 P53779 1/20 0.45
FABP4 P15090 2/20 0.43
ICMT O60725 5/20 0.43
PPARG P37231 2/20 0.42
F10 P00742 1/20 0.42
PARP1 P09874 1/20 0.42
FEN1 P39748 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 2/20 0.41
MAPK8 P45983 1/20 0.41
FAAH O00519 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
SCHEMBL6775381 0.92 PPARG (0.44) MAPTMAPK10ICMTPPARGF10
SCHEMBL6690152 0.91 KDM4E (0.43) MAPTMAPK10FABP4ICMTPARP1
SCHEMBL6693716 0.89 F10 (0.48) MAPTMAPK10FABP4ICMTPPARG
SCHEMBL6770631 0.89 PLA2G2A (0.46) FABP4F10PARP1POLBFAAH
SCHEMBL6694433 0.89 PLA2G2A (0.46) MAPTPARP1POLB
SCHEMBL6898645 0.88 PPARG (0.48) MAPTMAPK10FABP4PPARGLMNA
SCHEMBL6781985 0.87 MAPT (0.44) MAPTMAPK10FABP4ICMTPPARG
SCHEMBL6770537 0.87 FABP3 (0.41) FABP4ICMTF10FEN1LMNA
SCHEMBL7955041 0.86 PLA2G2A (0.49) FABP4
SCHEMBL6776332 0.86 MAPT (0.43) MAPTMAPK10FABP4ICMTPPARG

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