SCHEMBL14077429

SCHEMBL14077429

CCCCN/N=C(\C(=O)OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NAAA Q02083 1/20 0.44
HDAC3 O15379 4/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
BCHE P06276 1/20 0.40
PRSS1 P07477 2/20 0.39
CTSG P08311 2/20 0.39
CTRB1 P17538 2/20 0.39
CMA1 P23946 2/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL7560819 0.79 SMN1; SMN2 (0.48) SMN1; SMN2TSHRLMNATDP1
SCHEMBL10333091 0.73 ALDH1A1 (0.52) SMN1; SMN2TSHRLMNATDP1
SCHEMBL5797662 0.73 SMN1; SMN2 (0.72) SMN1; SMN2TSHRHTTLMNAPOLB
SCHEMBL6703692 0.73 SMN1; SMN2 (0.72) SMN1; SMN2TSHRHTTLMNAPOLB
SCHEMBL6025442 0.72 GAA (0.57) SMN1; SMN2CES2CES1TSHRLMNA
SCHEMBL6025444 0.72 GAA (0.57) SMN1; SMN2CES2CES1TSHRLMNA
SCHEMBL6157370 0.72 GAA (0.57) SMN1; SMN2CES2CES1TSHRLMNA
SCHEMBL7564185 0.72 SMN1; SMN2 (0.47) SMN1; SMN2CES2CES1TSHRPRSS1
SCHEMBL28574555 0.72 SMN1; SMN2 (0.50) SMN1; SMN2CES2CES1TSHRHTT
SCHEMBL21884118 0.71 TSHR (0.50) SMN1; SMN2CES2CES1TSHRPRSS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed