SCHEMBL8722784

SCHEMBL8722784

CC(Cl)CN(CC(C)Cl)c1ccc(CC(=O)NC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.45
FOLH1 Q04609 5/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.43
TMPRSS15 P98073 1/20 0.42
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.40
DHFR P00374 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL14497664 0.83 NPSR1 (0.59) KMT2AMEN1FOLH1NPSR1L3MBTL1
SCHEMBL7900436 0.83 KMT2A (0.69) KMT2AMEN1FOLH1NPSR1L3MBTL1
SCHEMBL8723896 0.83 KMT2A (0.69) KMT2AMEN1FOLH1NPSR1L3MBTL1
SCHEMBL10692268 0.79 NR3C1 (0.47) KMT2AMEN1NPSR1L3MBTL1CNR2
SCHEMBL29071696 0.77 NAALAD2 (0.68) KMT2AMEN1FOLH1NAALAD2TMPRSS15
SCHEMBL29071699 0.77 NAALAD2 (0.68) KMT2AMEN1FOLH1NAALAD2TMPRSS15
SCHEMBL6567538 0.77 NAALAD2 (0.66) KMT2AMEN1FOLH1NAALAD2CNR2
SCHEMBL6567542 0.77 NAALAD2 (0.66) KMT2AMEN1FOLH1NAALAD2CNR2
SCHEMBL27694707 0.77 NAALAD2 (0.66) KMT2AMEN1FOLH1NAALAD2CNR2
SCHEMBL4923938 0.76 ALDH1A1 (0.60) KMT2AMEN1FOLH1NAALAD2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651740-B1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LTD (GB) 1998-10-21 EP claimed
EP-0651740-B1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LTD (GB) 1998-10-21 EP disclosed