SCHEMBL7043265

SCHEMBL7043265

CN(CCC[C@H](C(N)=O)N(Cc1ccc(O)cc1)C(=O)C(c1ccccc1)c1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ACKR3 P25106 1/20 0.40
APP P05067 3/20 0.39
MAOB P27338 3/20 0.37
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
MAOA P21397 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36

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
SCHEMBL8612230 1.00 TDP1 (0.42) TDP1MEN1KMT2ABCHEACHE
SCHEMBL8112100 0.92 TDP1 (0.44) TDP1MEN1KMT2A
SCHEMBL8528953 0.91 TDP1 (0.41) TDP1MEN1KMT2ABCHEACHE
SCHEMBL7038181 0.88 TDP1 (0.43) TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL4702218 0.87 TDP1 (0.42) TDP1MEN1KMT2A
SCHEMBL8126608 0.86 TDP1 (0.41) TDP1MEN1KMT2A
SCHEMBL8119409 0.85 EPOR (0.43) TDP1MEN1KMT2A
SCHEMBL7043232 0.84 TDP1 (0.40) TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL8120628 0.83 EPOR (0.41) TDP1MEN1KMT2A
SCHEMBL8119790 0.82 EPHX1 (0.44) TDP1MEN1KMT2A

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-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed