SCHEMBL4703167

SCHEMBL4703167

COC(C)c1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(C(C)OC)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
HPGD P15428 3/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TTR P02766 1/20 0.36
PTGER4 P35408 1/20 0.35
TP53 P04637 1/20 0.35
KMO O15229 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4703388 0.93 THRB (0.48) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL4702405 0.92 THRB (0.45) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5777977 0.91 THRB (0.50) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL4703865 0.90 THRB (0.46) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5779160 0.90 THRB (0.43) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5781884 0.89 THRB (0.48) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5781182 0.88 THRB (0.48) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5782594 0.88 THRB (0.49) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5779112 0.87 THRB (0.47) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL4703384 0.86 THRB (0.46) THRBHSD17B10SMN1; SMN2HTTHPGD

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-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed