SCHEMBL2914495

SCHEMBL2914495

CCOC(=O)c1ccc(-c2cc(NC(=O)c3cccs3)ccc2C)cc1.Cc1ccc(NC(=O)c2cccs2)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
MAPK1 P28482 1/20 0.62
MAPK14 Q16539 1/20 0.62
MAPT P10636 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CASP1 P29466 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TSHR P16473 1/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL2347535 0.96 HSD17B10 (0.67) HSD17B10MAPK1MAPK14MAPTNPC1
SCHEMBL2348950 0.91 MAPK14 (0.69) MAPK14MAPTL3MBTL1NPC1RAB9A
SCHEMBL2350063 0.79 MAPK14 (0.64) MAPK1MAPK14MAPTL3MBTL1NPC1
SCHEMBL4818436 0.77 MAPK14 (1.00) MAPK14
SCHEMBL2347043 0.76 CA12 (0.51) MAPK14MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2345355 0.75 KDM4E (0.49) HSD17B10MAPK1MAPK14MAPTNPC1
SCHEMBL11729204 0.74 MEN1 (0.80) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10788595 0.73 HSD17B10 (0.67) HSD17B10MAPK1MAPTL3MBTL1NPC1
SCHEMBL2349306 0.73 PDK1 (0.46) MAPK14MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3955328 0.73 MAPT (0.55) MAPK14MAPTL3MBTL1NPC1RAB9A

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
EP-1940786-B1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LTD (GB) 2010-08-18 EP disclosed