SCHEMBL4071505

SCHEMBL4071505

NNC(=O)CCNc1ccc(C(=O)NN)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.50
CYP3A4 P08684 2/20 0.50
KDM5A P29375 1/20 0.50
BLM P54132 1/20 0.50
GFER P55789 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
OGG1 O15527 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 2/20 0.44
CYP1A2 P05177 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL4072414 0.90 MPO (0.47) MPOCYP3A4KDM5ABLMGFER
SCHEMBL4081019 0.88 PRSS1 (0.49) MPOCYP3A4KDM5ABLMGFER
SCHEMBL4079962 0.87 PRSS1 (0.50) PRSS1
SCHEMBL960116 0.84 CYP3A4 (0.52) MPOCYP3A4KDM5ABLMGFER
SCHEMBL4249311 0.82 ALDH1A1 (0.48) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL4409653 0.82 POLB (0.46) CYP3A4HIF1AMAPTL3MBTL1ALDH1A1
SCHEMBL1627561 0.81 L3MBTL1 (0.65) CYP3A4MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL4079637 0.80 L3MBTL1 (0.68) MPOCYP3A4KDM5ABLMGFER
SCHEMBL14184803 0.79 L3MBTL1 (0.57) CYP3A4GFERMAPTL3MBTL1ALDH1A1
SCHEMBL10764251 0.77 SCN5A (0.56) MPOCYP3A4KDM5ABLMGFER

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