SCHEMBL4072168

SCHEMBL4072168

NNC(=O)CCCOc1ccc(C(=O)NN)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ALDH1A1 P00352 6/20 0.51
MAPT P10636 4/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MMP1 P03956 2/20 0.49
PLK1 P53350 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MPO P05164 1/20 0.47
CYP3A4 P08684 1/20 0.47
KDM5A P29375 1/20 0.47
BLM P54132 1/20 0.47
GFER P55789 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL4411549 0.92 CA1 (0.56) CA1CA2ALDH1A1MAPTMAPK1
SCHEMBL4418967 0.87 MMP3 (0.55) CA1CA2ALDH1A1MAPTMAPK1
SCHEMBL31270955 0.87 L3MBTL1 (0.67) ALDH1A1MAPTHTTL3MBTL1LMNA
SCHEMBL18068446 0.86 CA1 (0.66) CA1CA2ALDH1A1MAPTMAPK1
SCHEMBL3267877 0.83 HDAC1 (0.63) ALDH1A1MAPK1HTTL3MBTL1CYP3A4
SCHEMBL10762321 0.83 PLK1 (0.65) CA1CA2ALDH1A1MAPTMAPK1
SCHEMBL4411547 0.82 MMP3 (0.54) ALDH1A1MAPTMMP1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL5639911 0.81 HDAC1 (0.61) ALDH1A1MAPK1HTTL3MBTL1CYP3A4
SCHEMBL6539464 0.81 MAPT (0.69) CA1CA2ALDH1A1MAPTMAPK1
SCHEMBL4414363 0.81 GAA (0.51) MAPTL3MBTL1CYP3A4LMNA

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-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed