SCHEMBL4079538

SCHEMBL4079538

CN(C(=O)CC(=O)NN)c1ccc(C(=O)NN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP3A4 P08684 3/20 0.47
MPO P05164 2/20 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
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
OGG1 O15527 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA9 Q16790 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 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
SCHEMBL19026948 0.83 POLQ (0.47) MAPTKDM4EALDH1A1LMNA
SCHEMBL19027030 0.83 ALDH1A1 (0.55) CYP3A4ALDH1A1LMNAL3MBTL1CYP2C19
SCHEMBL963723 0.78 HDAC1 (0.61) MAPTCYP3A4MPOKDM5ABLM
SCHEMBL2833357 0.76 MLYCD (0.61) MAPTCYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL4074053 0.75 MAPT (0.46) MAPTCYP3A4MPOKDM5ABLM
SCHEMBL4075252 0.73 HDAC3 (0.44) MAPTCYP3A4MPOKDM5ABLM
SCHEMBL343630 0.73 MPO (0.80) MAPTCYP3A4MPOKDM5ABLM
SCHEMBL2678949 0.73 MPO (0.80) MAPTCYP3A4MPOKDM5ABLM
SCHEMBL961379 0.72 MAPT (0.59) MAPTCYP3A4MPOKDM5ABLM
SCHEMBL19531787 0.71 PLK1 (0.53) MAPTCYP3A4CA1CA2ALDH1A1

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