SCHEMBL13708908

SCHEMBL13708908

CCOC(=O)c1cc(-c2ccc(/C=C3/C(=O)N=C(O)C(N)=C3C)o2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 5/20 0.60
KDM4E B2RXH2 5/20 0.60
POLB P06746 5/20 0.60
MEN1 O00255 4/20 0.60
HPGD P15428 3/20 0.60
MAPT P10636 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
RECQL P46063 2/20 0.60
MCL1 Q07820 2/20 0.60
APEX1 P27695 3/20 0.57
NTSR1 P30989 1/20 0.57
GALK1 P51570 1/20 0.57
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
XPA P23025 8/20 0.54
ESR2 Q92731 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
DNMT1 P26358 1/20 0.51

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
SCHEMBL8290357 0.87 ALDH1A1 (0.73) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL8291273 0.81 MEN1 (0.49) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL14581383 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL31358892 0.79 ALDH1A1 (0.64) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL18920608 0.77 ALDH1A1 (0.83) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL8290675 0.76 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL8292183 0.75 KMT2A (0.58) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL13708915 0.74 ESR2 (0.62) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL8291360 0.73 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4EPOLBMEN1
SCHEMBL8290432 0.72 ESR2 (0.72) ALDH1A1KMT2AKDM4EPOLBMEN1

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
EP-2105441-A1 Alanyl aminopeptidase and dipeptidylpeptidase IV dual inhibitors for the treatment of immunological, inflammatory, neuronal and other illnesses IMTM GmbH (DE) 2009-09-30 EP disclosed