SCHEMBL5779546

SCHEMBL5779546

CC(O)c1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(CCO)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.39
TTR P02766 1/20 0.38
PTGER4 P35408 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL5782715 0.90 HSD17B10 (0.45) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5782478 0.89 HSD17B10 (0.48) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5779144 0.88 HSD17B10 (0.43) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5780592 0.86 THRB (0.46) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5778716 0.85 KDM4E (0.41) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5780815 0.85 THRB (0.45) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5779552 0.84 HPGD (0.44) HSD17B10THRBALDH1A1HTTTTR
SCHEMBL4703388 0.83 THRB (0.48) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5781182 0.81 THRB (0.48) HSD17B10THRBALDH1A1SMN1; SMN2HTT
SCHEMBL5779112 0.80 THRB (0.47) HSD17B10THRBALDH1A1SMN1; SMN2HTT

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