SCHEMBL5780879

SCHEMBL5780879

CCN(CC)C(=O)CN1CCN(c2cccc(-n3c(C(C)OC)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.39
MDM2 Q00987 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.36
USP2 O75604 1/20 0.36
P2RY12 Q9H244 1/20 0.36
CNR2 P34972 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
PTGER4 P35408 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 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
SCHEMBL5778716 0.91 KDM4E (0.41) THRBKDM4EMDM2HSD17B10MEN1
SCHEMBL5779112 0.90 THRB (0.47) THRBHSD17B10MEN1GFERKMT2A
SCHEMBL5781182 0.89 THRB (0.48) THRBKDM4EHSD17B10MEN1GFER
SCHEMBL5783430 0.88 THRB (0.46) THRBHSD17B10MEN1GFERKMT2A
SCHEMBL5783857 0.88 THRB (0.46) THRBHSD17B10MEN1GFERKMT2A
SCHEMBL5780733 0.87 THRB (0.44) THRBHSD17B10MEN1GFERKMT2A
SCHEMBL5777903 0.85 THRB (0.43) THRBHSD17B10MEN1GFERKMT2A
SCHEMBL5778632 0.85 THRB (0.46) THRBKDM4EHSD17B10KMT2AALDH1A1
SCHEMBL5777977 0.84 THRB (0.50) THRBKDM4EHSD17B10MEN1KMT2A
SCHEMBL4702405 0.84 THRB (0.45) THRBKDM4EHSD17B10MEN1KMT2A

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