SCHEMBL19401339

SCHEMBL19401339

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(OC(C)C)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ALOX5 P09917 2/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 5/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 4/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
RCE1 Q9Y256 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 2/20 0.36
PRNP P04156 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 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
SCHEMBL19401344 0.88 ANO1 (0.38) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19401343 0.85 KCNH2 (0.39) L3MBTL1
SCHEMBL3535937 0.83 KDM4E (0.48) KDM4EMEN1KMT2AALOX5GAA
SCHEMBL2297483 0.79 PTGS2 (0.50) KDM4EMEN1KMT2AALOX5GAA
SCHEMBL4791027 0.79 KDM4E (0.47) KDM4EMEN1KMT2AALOX5GAA
SCHEMBL6119870 0.78 ALOX5 (0.50) KDM4EMEN1KMT2AALOX5GAA
SCHEMBL4790709 0.77 ALOX5 (0.48) KDM4EMEN1KMT2AALOX5GAA
SCHEMBL4791020 0.77 MEN1 (0.47) KDM4EMEN1KMT2AALOX5GAA
SCHEMBL1918070 0.77 MEN1 (0.56) KDM4EMEN1KMT2AALOX5GAA
SCHEMBL2402438 0.76 MEN1 (0.55) KDM4EMEN1KMT2AALOX5GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017165233-A1 BENZOFURAN DERIVATIVES FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-28 WO disclosed