SCHEMBL4702086

SCHEMBL4702086

COC(C)N1CCN(c2cccc(-n3c(CC(C)C)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
HSD17B10 Q99714 2/20 0.43
HPGD P15428 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.36
PTGER4 P35408 1/20 0.36
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4701536 0.91 THRB (0.43) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4703393 0.90 THRB (0.46) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4701502 0.90 CRBN (0.46) THRBHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL4703169 0.90 THRB (0.46) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4700682 0.89 THRB (0.45) THRBHSD17B10HPGDSMN1; SMN2
SCHEMBL4703176 0.88 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2KMT2A
SCHEMBL4703871 0.88 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4700632 0.87 THRB (0.43) THRBHSD17B10HPGDSMN1; SMN2KMT2A
SCHEMBL4703167 0.85 THRB (0.48) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4703388 0.85 THRB (0.48) THRBHSD17B10HPGDSMN1; SMN2HTT

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