SCHEMBL5249692

SCHEMBL5249692

CC(CCc1cccc(Cl)c1)NCc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALOX15 P16050 1/20 0.41
SLC2A1 P11166 4/20 0.41
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
BCHE P06276 1/20 0.39
GAA P10253 1/20 0.39
CHRM2 P08172 1/20 0.38
F2 P00734 1/20 0.38
CXCR3 P49682 1/20 0.38

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
SCHEMBL4404501 0.87 KDM4E (0.55) SMARCA2KDM4EMEN1KMT2AALOX15
SCHEMBL4508356 0.86 KDM4E (0.46) SMARCA2KDM4EMEN1KMT2AALOX15
SCHEMBL4408146 0.85 SMARCA2 (0.48) SMARCA2KDM4EMEN1KMT2AALOX15
SCHEMBL4414892 0.85 SMARCA2 (0.56) SMARCA2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL14293673 0.85 KDM4E (0.45) SMARCA2KDM4EMEN1KMT2AALOX15
SCHEMBL4408981 0.85 SMARCA2 (0.47) SMARCA2KDM4EMEN1KMT2AALOX15
SCHEMBL4409049 0.84 KDM4E (0.51) SMARCA2KDM4EMEN1KMT2AALOX15
SCHEMBL14293606 0.83 KDM4E (0.52) SMARCA2KDM4EMEN1KMT2AALOX15
SCHEMBL5254340 0.81 MEN1 (0.40) SMARCA2KDM4EMEN1KMT2AL3MBTL1
SCHEMBL4756336 0.80 ALDH1A1 (0.40) SMARCA2KDM4EMEN1KMT2AALOX15

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
EP-1608352-A4 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY CO LTD (TW) 2007-11-28 EP disclosed
EP-1608352-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES Taigen Biotechnology (TW) 2005-12-28 EP disclosed
WO-2004089360-A1 POLYAMINE COMPOUNDS FOR TREATING CHEMOKINE RECEPTOR MEDIATED DISEASES TAIGEN BIOTECHNOLOGY (TW) 2004-10-21 WO disclosed