SCHEMBL5204545

SCHEMBL5204545

COc1ccccc1N1CCN(C(=O)CN(C(=O)c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc2Oc2cccc(C(N)C(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
TACR1 P25103 7/20 0.40
LMNA P02545 6/20 0.40
MAPK1 P28482 3/20 0.40
MAPT P10636 4/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
HTR1A P08908 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
Hydrochloric Acid SCHEMBL5205390 0.85 KMT2A (0.45) KMT2AMEN1POLBTACR1LMNA
SCHEMBL5204553 0.85 NPC1 (0.43) KMT2AMEN1POLBTACR1LMNA
SCHEMBL5207637 0.68 HDAC1 (0.44)
SCHEMBL5204784 0.68 PTGER4 (0.40) KMT2AMEN1
SCHEMBL5202499 0.67 KDM4E (0.36) ALDH1A1
SCHEMBL5205373 0.67 TSPO (0.40)
SCHEMBL5208785 0.67 PPARG (0.41)
SCHEMBL5206532 0.67 SCN9A (0.39) MAPTALDH1A1
SCHEMBL5204339 0.67 SCN9A (0.39) MAPTALDH1A1
SCHEMBL5201617 0.65 HDAC1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed