SCHEMBL4701536

SCHEMBL4701536

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
HPGD P15428 5/20 0.42
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
PTGER4 P35408 1/20 0.37
HTT P42858 1/20 0.37
PDE10A Q9Y233 1/20 0.35
ATM Q13315 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
SCHEMBL4702086 0.91 THRB (0.47) THRBHPGDHSD17B10SMN1; SMN2PTGER4
SCHEMBL4699188 0.90 THRB (0.42) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4699907 0.90 CRBN (0.44) THRBHPGDHSD17B10SIRT2SIRT1
SCHEMBL4702409 0.89 THRB (0.44) THRBHPGDHSD17B10SMN1; SMN2PTGER4
SCHEMBL4698515 0.88 HPGD (0.44) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4698571 0.88 THRB (0.41) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4698489 0.88 HPGD (0.43) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4702405 0.85 THRB (0.45) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4698564 0.85 THRB (0.42) THRBHPGDHSD17B10SMN1; SMN2SIRT2
SCHEMBL4700682 0.82 THRB (0.45) THRBHPGDHSD17B10SMN1; SMN2

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