SCHEMBL13637924

SCHEMBL13637924

CSCCC(NCl)C(=O)Oc1ccc(NC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
BCL2 P10415 1/20 0.42
HTT P42858 1/20 0.42

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
Sumacetamol SCHEMBL5185790 0.90 GAA (0.55) KMT2AMEN1GAASMN1; SMN2HSD17B10
Sumacetamol SCHEMBL1134071 0.90 GAA (0.55) KMT2AMEN1GAASMN1; SMN2HSD17B10
SCHEMBL13637985 0.84 KMT2A (0.54) KMT2AMEN1GAASMN1; SMN2HSD17B10
SCHEMBL1133955 0.83 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2HSD17B10
SCHEMBL1133853 0.83 KMT2A (0.53) KMT2AMEN1GAASMN1; SMN2HSD17B10
SCHEMBL1133956 0.83 EPHX2 (0.52) KMT2AMEN1GAASMN1; SMN2HSD17B10
SCHEMBL1133954 0.83 EPHX2 (0.52) KMT2AMEN1GAASMN1; SMN2HSD17B10
SCHEMBL1133950 0.80 KMT2A (0.55) KMT2AMEN1GAASMN1; SMN2HSD17B10
SCHEMBL1133962 0.77 KMT2A (0.55) KMT2AMEN1SMN1; SMN2HSD17B10NPSR1
SCHEMBL18211946 0.76 GAA (0.54) KMT2AGAAHSD17B10LMNAALDH1A1

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
WO-2009143299-A1 HEPATOPROTECTANT ACETAMINOPHEN MUTUAL PRODRUGS NEUROGESX, INC. (US) 2009-11-26 WO disclosed