SCHEMBL4698571

SCHEMBL4698571

CCOC(C)N1CCN(c2cccc(-n3c(CCN(C)C)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PTGER4 P35408 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL4703871 0.92 THRB (0.44) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4699188 0.90 THRB (0.42) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4702409 0.89 THRB (0.44) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4701536 0.88 THRB (0.43) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4698515 0.87 HPGD (0.44) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4699907 0.87 CRBN (0.44) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4698564 0.85 THRB (0.42) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4698489 0.85 HPGD (0.43) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4698566 0.84 HCAR3 (0.42) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4702405 0.83 THRB (0.45) THRBHPGDHSD17B10SIRT2SIRT1

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