SCHEMBL5779160

SCHEMBL5779160

COC(C)c1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(C(C)OCc3ccccc3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 2/20 0.37
HDAC1 Q13547 1/20 0.37
MGLL Q99685 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HPGD P15428 2/20 0.36
PTGER4 P35408 1/20 0.35
CRBN Q96SW2 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5AP P20292 1/20 0.34
HCAR3 P49019 1/20 0.34

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
SCHEMBL4702405 0.91 THRB (0.45) THRBHSD17B10SMN1; SMN2HPGDPTGER4
SCHEMBL4703167 0.90 THRB (0.48) THRBHSD17B10SMN1; SMN2HPGDPTGER4
SCHEMBL5778632 0.87 THRB (0.46) THRBHSD17B10SMN1; SMN2HPGDALDH1A1
SCHEMBL5777977 0.84 THRB (0.50) THRBHSD17B10SMN1; SMN2HPGDCRBN
SCHEMBL5781182 0.84 THRB (0.48) THRBHSD17B10SMN1; SMN2HPGDPTGER4
SCHEMBL5779112 0.83 THRB (0.47) THRBHSD17B10SMN1; SMN2HPGDPTGER4
SCHEMBL4703388 0.83 THRB (0.48) THRBHSD17B10SMN1; SMN2HPGDPTGER4
SCHEMBL5781884 0.83 THRB (0.48) THRBHSD17B10MGLLSMN1; SMN2HPGD
SCHEMBL5782594 0.82 THRB (0.49) THRBHSD17B10SMN1; SMN2SIGMAR1HPGD
SCHEMBL5783430 0.82 THRB (0.46) THRBHSD17B10SMN1; SMN2HPGDHTT

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-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed