SCHEMBL6775459

SCHEMBL6775459

NC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.48
BAD Q92934 8/20 0.48
PLA2G1B P04054 1/20 0.45
PLA2G2A P14555 1/20 0.45
CMA1 P23946 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PABPC1 P11940 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CD38 P28907 1/20 0.40
F10 P00742 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL6776015 0.92 MCL1 (0.44) MCL1BADPLA2G1BPLA2G2ACMA1
SCHEMBL6690888 0.88 MEN1 (0.47) MCL1BADPLA2G1BPLA2G2ACMA1
SCHEMBL6895068 0.88 MAPK8 (0.47) MCL1BADPLA2G1BPLA2G2ACMA1
SCHEMBL6781636 0.88 MCL1 (0.45) MCL1BADPLA2G1BPLA2G2ACMA1
SCHEMBL6775731 0.87 PLA2G2A (0.46) MCL1BADPLA2G1BPLA2G2AGRM2
SCHEMBL6782214 0.86 PARP1 (0.39) MCL1BADPLA2G1BPLA2G2ACD38
SCHEMBL6773917 0.86 ALDH1A1 (0.44) KMT2AKDM4ENPC1GAAMAPT
SCHEMBL6776614 0.86 PLA2G2A (0.44) PLA2G2AMEN1KMT2AKDM4ENPC1
SCHEMBL6777361 0.86 PLA2G2A (0.46) PLA2G1BPLA2G2AMEN1KMT2AKDM4E
SCHEMBL6776083 0.86 PLA2G1B (0.42) MCL1BADPLA2G1BPLA2G2ACMA1

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