SCHEMBL5773626

SCHEMBL5773626

COc1cc(NC(=O)Cc2cccc(NC(=O)c3c(-c4ccccc4F)noc3C)c2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.58
PTGS2 P35354 2/20 0.57
GHSR Q92847 1/20 0.49
MAPT P10636 5/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
LMNA P02545 4/20 0.45
HTT P42858 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL5776889 0.93 PTGS2 (0.62) EPAS1PTGS2MAPTSMN1; SMN2ABCB1
SCHEMBL5778314 0.92 MAPT (0.59) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL5774938 0.91 PTGS2 (0.54) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL5777335 0.91 PTGS2 (0.54) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL7226352 0.89 PTGS2 (0.58) EPAS1PTGS2GHSRMAPTSMN1; SMN2
SCHEMBL5774722 0.81 PTGS2 (0.57) PTGS2MAPTPOLBSMN1; SMN2ABCB1
SCHEMBL5773623 0.80 EPAS1 (0.58) EPAS1PTGS2GHSRMAPTPOLB
SCHEMBL5773731 0.80 PTGS2 (0.51) PTGS2MAPTPOLBSMN1; SMN2ABCB1
SCHEMBL5776665 0.78 PTGS2 (0.54) PTGS2GHSRMAPTPOLBSMN1; SMN2
SCHEMBL5775020 0.76 PTGS2 (0.51) PTGS2GHSRMAPTPOLBSMN1; SMN2

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