SCHEMBL4703871

SCHEMBL4703871

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.36
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
PTGER4 P35408 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 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
SCHEMBL4698571 0.92 THRB (0.41) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4703393 0.91 THRB (0.46) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4703169 0.90 THRB (0.46) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4700682 0.89 THRB (0.45) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4702086 0.88 THRB (0.47) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4703176 0.87 THRB (0.44) THRBHSD17B10HPGDSMN1; SMN2POLB
SCHEMBL4701502 0.86 CRBN (0.46) THRBHSD17B10HPGDSMN1; SMN2
SCHEMBL4703868 0.85 THRB (0.44) THRBHSD17B10HPGDPOLBPTGER4
SCHEMBL4703865 0.84 THRB (0.46) THRBHSD17B10HPGDSMN1; SMN2HTT
SCHEMBL4700632 0.84 THRB (0.43) THRBHSD17B10HPGDSMN1; SMN2POLB

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