SCHEMBL4079637

SCHEMBL4079637

NNC(=O)CCC(=O)Nc1ccc(C(=O)NN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
MPO P05164 1/20 0.52
CYP3A4 P08684 1/20 0.52
KDM5A P29375 1/20 0.52
BLM P54132 1/20 0.52
GFER P55789 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
OGG1 O15527 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A1 P04798 1/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
APEX1 P27695 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL2833538 0.82 CA1 (0.62) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL14966662 0.81 L3MBTL1 (1.00) L3MBTL1CYP3A4ALDH1A1MAPTKDM4E
SCHEMBL2832427 0.80 MAPT (0.71) LMNAMAPTKDM4EPOLBMEN1
SCHEMBL4071505 0.80 MPO (0.50) L3MBTL1MPOCYP3A4KDM5ABLM
SCHEMBL16612086 0.79 MPO (0.57) L3MBTL1MPOCYP3A4KDM5ABLM
SCHEMBL4072414 0.77 MPO (0.47) L3MBTL1MPOCYP3A4KDM5ABLM
Hydrochloric Acid SCHEMBL17203100 0.77 MPO (0.55) L3MBTL1MPOCYP3A4KDM5ABLM
SCHEMBL7101981 0.77 HDAC1 (0.80) L3MBTL1ALDH1A1MAPTKDM4EPOLB
SCHEMBL2924725 0.77 CACNA1B (0.65) L3MBTL1MPOCYP3A4KDM5ABLM
SCHEMBL343630 0.77 MPO (0.80) L3MBTL1MPOCYP3A4KDM5ABLM

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