SCHEMBL5777977

SCHEMBL5777977

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 3/20 0.41
HTT P42858 1/20 0.40
CHEK1 O14757 2/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
SCHEMBL5781884 0.91 THRB (0.48) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL4703167 0.91 THRB (0.48) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5781182 0.90 THRB (0.48) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5782594 0.90 THRB (0.49) THRBHSD17B10SMN1; SMN2HTR2CHTT
SCHEMBL5782478 0.89 HSD17B10 (0.48) THRBHSD17B10SMN1; SMN2HTR2CHTT
SCHEMBL5779112 0.89 THRB (0.47) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5778632 0.87 THRB (0.46) THRBHSD17B10SMN1; SMN2HTR2CHPGD
SCHEMBL5783430 0.87 THRB (0.46) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL5783857 0.87 THRB (0.46) THRBHSD17B10SMN1; SMN2HTTHPGD
SCHEMBL4702405 0.87 THRB (0.45) 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-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed