SCHEMBL5779153

SCHEMBL5779153

NC(=O)CN1CCN(c2cccc(-n3c(CCO)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
HSD17B10 Q99714 2/20 0.42
THRB P10828 1/20 0.42
CRBN Q96SW2 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
TTR P02766 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MAPT P10636 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
PTGER4 P35408 1/20 0.35
KMO O15229 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
SCHEMBL5782722 0.93 HPGD (0.44) HPGDHSD17B10THRBCRBNKDM4E
SCHEMBL5779552 0.90 HPGD (0.44) HPGDHSD17B10THRBKDM4EALDH1A1
SCHEMBL5783447 0.89 HPGD (0.46) HPGDHSD17B10THRBCRBNALDH1A1
SCHEMBL5780598 0.88 THRB (0.46) HPGDHSD17B10THRBCRBNALDH1A1
SCHEMBL5778720 0.87 KDM4E (0.41) HPGDHSD17B10THRBCRBNKDM4E
SCHEMBL5780819 0.87 HPGD (0.49) HPGDHSD17B10THRBALDH1A1HTT
SCHEMBL5782481 0.87 HSD17B10 (0.47) HPGDHSD17B10THRBCRBNKDM4E
SCHEMBL4703390 0.85 THRB (0.46) HPGDHSD17B10THRBMEN1KMT2A
SCHEMBL5779144 0.83 HSD17B10 (0.43) HPGDHSD17B10THRBCRBNKDM4E
SCHEMBL5779114 0.82 THRB (0.47) HPGDHSD17B10THRBCRBNALDH1A1

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