SCHEMBL365494

SCHEMBL365494

N#CCOc1ccc2c(C(=O)OCc3ccccc3Cl)c3ccccc3n2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NR4A2 P43354 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 7/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALKBH1 Q13686 1/20 0.34

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
SCHEMBL366107 0.88 MAPT (0.39) ALDH1A1L3MBTL1MAOBMAPTTDP1
SCHEMBL364902 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL365200 0.86 TP53 (0.40) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL365618 0.86 L3MBTL1 (0.39) ALDH1A1L3MBTL1MAPTNPC1TDP1
SCHEMBL365513 0.85 NPC1 (0.40) ALDH1A1HTTL3MBTL1MAPTNPC1
SCHEMBL365493 0.85 KMT2A (0.50) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL367137 0.85 ALOX5 (0.40) ALDH1A1HTTNR4A2MMP1MMP2
SCHEMBL365753 0.84 ALDH1A1 (0.35) ALDH1A1HTTL3MBTL1MAPTTDP1
SCHEMBL365359 0.83 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1MAPTTDP1
SCHEMBL366794 0.83 PSEN1 (0.36) ALDH1A1HTTL3MBTL1MAPTTDP1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed