SCHEMBL5774429

SCHEMBL5774429

COc1cc(N(C(=O)c2ncoc2-c2c(F)cccc2Cl)c2cccc(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
BCHE P06276 1/20 0.39
MAPT P10636 2/20 0.39
PTGS2 P35354 1/20 0.38
BRAF P15056 4/20 0.38
FYN P06241 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRM1 Q13255 1/20 0.35
PTGIR P43119 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6692603 0.89 BRAF (0.38) POLBBCHEMAPTBRAFFYN
SCHEMBL5774424 0.84 POLB (0.46) POLBBCHEMAPTPTGS2BRAF
SCHEMBL5774719 0.79 PTGS2 (0.48) POLBMAPTPTGS2MEN1KMT2A
SCHEMBL5776886 0.76 PTGS2 (0.49) POLBPTGS2BRAFFYNMEN1
SCHEMBL5776661 0.75 PTGS2 (0.45) POLBMAPTPTGS2ALDH1A1LMNA
SCHEMBL5774427 0.75 POLB (0.47) POLBBCHEMAPTPTGS2MEN1
SCHEMBL6692596 0.75 BRAF (0.40) POLBBCHEMAPTBRAFFYN
SCHEMBL7226348 0.73 PTGS2 (0.45) POLBPTGS2BRAFFYNMEN1
SCHEMBL6691783 0.72 PTGS2 (0.39) POLBMAPTPTGS2BRAFFYN
SCHEMBL5772336 0.71 POLB (0.45) POLBMAPTMEN1KMT2AGRM1

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