SCHEMBL5778716

SCHEMBL5778716

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

nearest known ligand 0.41

Predicted protein targets (top 20)

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
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.37
CNR2 P34972 1/20 0.37
PTGER4 P35408 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 2/20 0.36
SCN9A Q15858 1/20 0.36
TTR P02766 1/20 0.36
ENPP2 Q13822 1/20 0.36
P2RY12 Q9H244 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL5780879 0.91 THRB (0.43) KDM4EMDM2HSD17B10THRBALDH1A1
SCHEMBL5782715 0.89 HSD17B10 (0.45) KDM4EHSD17B10THRBALDH1A1SMN1; SMN2
SCHEMBL5780815 0.88 THRB (0.45) HSD17B10THRBALDH1A1SMN1; SMN2PTGER4
SCHEMBL5779144 0.88 HSD17B10 (0.43) KDM4EHSD17B10THRBALDH1A1SMN1; SMN2
SCHEMBL5780592 0.86 THRB (0.46) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5779546 0.85 HSD17B10 (0.44) KDM4EHSD17B10THRBALDH1A1SMN1; SMN2
SCHEMBL5778720 0.85 KDM4E (0.41) KDM4EMDM2HSD17B10THRBALDH1A1
SCHEMBL5782478 0.84 HSD17B10 (0.48) KDM4EHSD17B10THRBALDH1A1SMN1; SMN2
SCHEMBL5780883 0.83 THRB (0.43) KDM4EMDM2HSD17B10THRBALDH1A1
SCHEMBL5781826 0.81 HPGD (0.55) KDM4EMDM2THRBALDH1A1SMN1; 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-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed