SCHEMBL14743709

SCHEMBL14743709

COC(=O)c1cc(N(C)CC(=O)NCc2ncccn2)c2c(Cl)cc(Cl)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NQO2 P16083 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACLY P53396 1/20 0.32
P2RX7 Q99572 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32

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
SCHEMBL14743819 0.90 LMNA (0.34) ALOX15ALDH1A1KMT2ALMNAHPGD
SCHEMBL14743956 0.87 PSMD14 (0.36) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL14743807 0.86 HPGDS (0.40) ALOX15HTTALDH1A1LMNAHPGD
SCHEMBL14743911 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL14743000 0.84 ALDH1A1 (0.35) ALOX15HTTALDH1A1KMT2AMEN1
SCHEMBL14743411 0.84 TDP1 (0.50) HTTALDH1A1KMT2AMEN1LMNA
SCHEMBL14743664 0.81 ALDH1A1 (0.36) HTTALDH1A1KMT2AMEN1NQO2
SCHEMBL14743626 0.79 GAA (0.48) ALOX15HTTALDH1A1KMT2AMEN1
SCHEMBL14743068 0.77 PSMD14 (0.38) ALDH1A1KMT2AMEN1POLB
SCHEMBL14743576 0.77 KMT2A (0.48) HTTALDH1A1KMT2AMEN1LMNA

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-2013030358-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2013-03-07 WO disclosed