SCHEMBL5774938

SCHEMBL5774938

COc1cc(NC(=O)Cc2cccc(NC(=O)c3c(-c4cc(I)ccc4F)noc3C)c2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.54
EPAS1 Q99814 3/20 0.47
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 4/20 0.43
LMNA P02545 3/20 0.43
GHSR Q92847 1/20 0.42
MET P08581 1/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 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
SCHEMBL5773626 0.91 EPAS1 (0.58) PTGS2EPAS1ABCB1ABCC1SMN1; SMN2
SCHEMBL5776889 0.88 PTGS2 (0.62) PTGS2EPAS1ABCB1ABCC1SMN1; SMN2
SCHEMBL5778314 0.88 MAPT (0.59) PTGS2EPAS1ABCB1ABCC1SMN1; SMN2
SCHEMBL7226352 0.88 PTGS2 (0.58) PTGS2EPAS1ABCB1ABCC1SMN1; SMN2
SCHEMBL5777335 0.86 PTGS2 (0.54) PTGS2EPAS1ABCB1ABCC1SMN1; SMN2
SCHEMBL5773731 0.78 PTGS2 (0.51) PTGS2ABCB1ABCC1SMN1; SMN2MAPT
SCHEMBL5774722 0.76 PTGS2 (0.57) PTGS2ABCB1ABCC1SMN1; SMN2MAPT
SCHEMBL5774936 0.75 PTGS2 (0.42) PTGS2EPAS1SMN1; SMN2MAPTPOLB
SCHEMBL5770740 0.74 SMN1; SMN2 (0.48) PTGS2ABCB1ABCC1SMN1; SMN2MAPT
SCHEMBL5776665 0.74 PTGS2 (0.54) PTGS2ABCB1ABCC1SMN1; SMN2MAPT

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