SCHEMBL13457553

SCHEMBL13457553

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(N)c(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PRNP P04156 1/20 0.48
GAA P10253 1/20 0.48
PTGS2 P35354 3/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.46
TP53 P04637 5/20 0.46
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.45
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL12337480 0.87 ANO1 (0.45) KDM4EALDH1A1HPGDTP53HSD17B10
SCHEMBL1919590 0.87 MEN1 (0.44) MEN1KMT2APRNPGAAPTGS2
SCHEMBL3539094 0.86 MEN1 (0.55) MEN1KMT2APRNPGAAPTGS2
SCHEMBL1918707 0.85 CYP3A4 (0.44)
SCHEMBL3535680 0.83 KDM4E (0.51) MEN1KMT2APRNPGAAPTGS2
SCHEMBL2299438 0.83 PTGS2 (0.49) MEN1KMT2APRNPGAAPTGS2
SCHEMBL6120010 0.83 MEN1 (0.55) MEN1KMT2APRNPGAAPTGS2
SCHEMBL4790731 0.82 MAPT (0.41) MEN1KMT2APRNPGAAPTGS2
SCHEMBL12293636 0.82 MEN1 (0.60) MEN1KMT2APRNPGAAPTGS2
SCHEMBL4792280 0.81 KDM4E (0.40) MEN1KMT2APRNPGAAPTGS2

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-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed