SCHEMBL5778720

SCHEMBL5778720

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MDM2 Q00987 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
USP2 O75604 1/20 0.37
PTGER4 P35408 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HTT P42858 1/20 0.36
SCN9A Q15858 1/20 0.36
TTR P02766 1/20 0.36
ENPP2 Q13822 1/20 0.36
CRBN Q96SW2 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
SCHEMBL5780883 0.91 THRB (0.43) KDM4EMDM2HSD17B10THRBHPGD
SCHEMBL5782722 0.89 HPGD (0.44) KDM4EHSD17B10THRBHPGDALDH1A1
SCHEMBL5780819 0.88 HPGD (0.49) HSD17B10THRBHPGDALDH1A1TSHR
SCHEMBL5779153 0.87 HPGD (0.49) KDM4EHSD17B10THRBHPGDALDH1A1
SCHEMBL5780598 0.86 THRB (0.46) HSD17B10THRBHPGDALDH1A1TSHR
SCHEMBL5779552 0.86 HPGD (0.44) KDM4EHSD17B10THRBHPGDALDH1A1
SCHEMBL5778716 0.85 KDM4E (0.41) KDM4EMDM2HSD17B10THRBHPGD
SCHEMBL5782481 0.85 HSD17B10 (0.47) KDM4EHSD17B10THRBHPGDALDH1A1
SCHEMBL4703390 0.83 THRB (0.46) HSD17B10THRBHPGDTSHRPTGER4
SCHEMBL5780879 0.83 THRB (0.43) KDM4EMDM2HSD17B10THRBHPGD

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