SCHEMBL4792192

SCHEMBL4792192

C=CCCCNc1cc2oc(-c3ccc(F)cc3)c(C(=O)OCC)c2cc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
PRNP P04156 1/20 0.49
ALOX5 P09917 5/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
SCHEMBL4792510 0.96 MEN1 (0.50) MEN1KMT2APRNPALOX5GAA
SCHEMBL4790729 0.95 MEN1 (0.51) MEN1KMT2APRNPALOX5GAA
SCHEMBL4792305 0.88 KDM4E (0.43) MEN1KMT2APRNPALOX5GAA
SCHEMBL4792280 0.85 KDM4E (0.40) MEN1KMT2APRNPALOX5GAA
SCHEMBL4792508 0.84 PTGS2 (0.45) MEN1KMT2APRNPALOX5GAA
SCHEMBL17922122 0.82 KDM4E (0.44) MEN1KMT2APRNPALOX5GAA
SCHEMBL4792565 0.82 PTGS2 (0.44) MEN1KMT2APRNPGAAKDM4E
SCHEMBL4790731 0.80 MAPT (0.41) MEN1KMT2APRNPALOX5GAA
SCHEMBL12940106 0.79 MEN1 (0.46) MEN1KMT2APRNPALOX5GAA
SCHEMBL12293636 0.77 MEN1 (0.60) MEN1KMT2APRNPALOX5GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO disclosed