SCHEMBL5774936

SCHEMBL5774936

COc1cc(N(C(=O)c2c(-c3cc(I)ccc3F)noc2C)c2cccc(NC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 4/20 0.40
EPAS1 Q99814 1/20 0.40
ALOX12 P18054 1/20 0.40
GPBAR1 Q8TDU6 5/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
GHSR Q92847 2/20 0.38
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
BRAF P15056 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FYN P06241 1/20 0.36

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 0.88 PTGS2 (0.49) PTGS2ALDH1A1EPAS1ALOX12GPBAR1
SCHEMBL5778310 0.88 POLB (0.51) PTGS2ALDH1A1EPAS1ALOX12GPBAR1
SCHEMBL7226348 0.88 PTGS2 (0.45) PTGS2ALDH1A1EPAS1ALOX12GPBAR1
SCHEMBL5777332 0.86 PTGS2 (0.42) PTGS2ALDH1A1EPAS1ALOX12GPBAR1
SCHEMBL5773623 0.79 EPAS1 (0.58) PTGS2ALDH1A1EPAS1ALOX12LMNA
SCHEMBL5774938 0.75 PTGS2 (0.54) PTGS2EPAS1LMNASMN1; SMN2HPGD
SCHEMBL5774719 0.75 PTGS2 (0.48) PTGS2ALDH1A1ALOX12LMNATSHR
SCHEMBL6696053 0.74 PTGS2 (0.35) PTGS2ALDH1A1GPBAR1LMNASMN1; SMN2
SCHEMBL6691783 0.74 PTGS2 (0.39) PTGS2ALDH1A1GPBAR1LMNATSHR
SCHEMBL5776661 0.73 PTGS2 (0.45) PTGS2ALDH1A1LMNATSHRSMN1; 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