SCHEMBL5774427

SCHEMBL5774427

COc1cc(NC(=O)Cc2cccc(NC(=O)c3ncoc3-c3c(F)cccc3Cl)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
PTGS2 P35354 1/20 0.45
HTT P42858 4/20 0.44
LMNA P02545 2/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
BCHE P06276 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM1 Q13255 1/20 0.40
RAB9A P51151 1/20 0.40
IMPDH2 P12268 1/20 0.39
AAK1 Q2M2I8 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
SCHEMBL6692601 0.87 SMN1; SMN2 (0.49) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5774722 0.80 PTGS2 (0.57) POLBMAPTSMN1; SMN2PTGS2HTT
SCHEMBL5776665 0.76 PTGS2 (0.54) POLBMAPTSMN1; SMN2PTGS2HTT
SCHEMBL5776889 0.76 PTGS2 (0.62) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5774429 0.75 POLB (0.46) POLBMAPTSMN1; SMN2PTGS2LMNA
SCHEMBL5775020 0.74 PTGS2 (0.51) POLBMAPTSMN1; SMN2PTGS2HTT
SCHEMBL7226352 0.73 PTGS2 (0.58) MAPTSMN1; SMN2PTGS2HTTLMNA
SCHEMBL5770740 0.72 SMN1; SMN2 (0.48) POLBMAPTSMN1; SMN2PTGS2HTT
SCHEMBL5773626 0.71 EPAS1 (0.58) POLBMAPTSMN1; SMN2PTGS2HTT
SCHEMBL5773731 0.71 PTGS2 (0.51) POLBMAPTSMN1; SMN2PTGS2HTT

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