SCHEMBL8316852

SCHEMBL8316852

CC(=O)c1ccc2c(c1C#N)OCO2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
AOC3 Q16853 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
MELK Q14680 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9204235 0.78 EDNRB (0.46) KDM4EALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL1027211 0.77 AOC3 (0.43) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL6341931 0.77 AOC3 (0.43) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL25082789 0.76 AOC3 (0.42) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL10446374 0.76 AOC3 (0.42) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL25082792 0.76 HTT (0.44) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL1854649 0.75 AOC3 (0.46) XDHSLC22A12AOC3KDM4EALDH1A1
SCHEMBL13516155 0.73 ALDH1A1 (0.46) AOC3KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL17159798 0.72 ALDH1A1 (0.41) AOC3KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL16793055 0.71 AOC3 (0.46) AOC3KDM4EALDH1A1NPSR1LMNA

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
EP-0900223-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1999-03-10 EP disclosed
WO-1997040050-A1 THIENOPYRIDINE DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed