SCHEMBL5773623

SCHEMBL5773623

COc1cc(N(C(C)=O)c2cccc(NC(=O)c3c(-c4ccccc4F)noc3C)c2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.58
PTGS2 P35354 3/20 0.53
GHSR Q92847 2/20 0.51
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 5/20 0.46
TSHR P16473 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5776886 0.81 PTGS2 (0.49) EPAS1PTGS2GHSRPOLBLMNA
SCHEMBL5778310 0.81 POLB (0.51) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL5773626 0.80 EPAS1 (0.58) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL5777332 0.79 PTGS2 (0.42) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL5774936 0.79 PTGS2 (0.42) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL7226348 0.77 PTGS2 (0.45) EPAS1PTGS2GHSRPOLBLMNA
SCHEMBL5770736 0.76 PTGS2 (0.44) PTGS2GHSRMAPTPOLBTSHR
SCHEMBL29059359 0.74 EPAS1 (1.00) EPAS1PTGS2MAPTPOLBLMNA
SCHEMBL5774719 0.73 PTGS2 (0.48) PTGS2GHSRMAPTPOLBLMNA
SCHEMBL5778314 0.73 MAPT (0.59) EPAS1PTGS2GHSRMAPTPOLB

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-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO disclosed