SCHEMBL4755697

SCHEMBL4755697

C[N+](C)(CCc1ccc(F)cc1)Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LIN28A Q9H9Z2 1/20 0.39
CHRM2 P08172 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL4413889 0.84 KDM4E (0.56) KDM4EMEN1KMT2AKCNA5ALOX15
SCHEMBL4404341 0.83 KDM4E (0.50) KDM4EMEN1KMT2AKCNA5ALOX15
SCHEMBL4413514 0.83 KDM4E (0.50) KDM4EMEN1KMT2AKCNA5ALOX15
SCHEMBL14293672 0.81 KDM4E (0.52) KDM4EMEN1KMT2AKCNA5ALOX15
SCHEMBL4409089 0.80 CHRM2 (0.57) KDM4EMEN1KMT2AALOX15TDP1
SCHEMBL4414847 0.77 KDM4E (0.42) KDM4EMEN1KMT2AKCNA5ALOX15
SCHEMBL13900437 0.77 NPSR1 (0.56) KDM4EMEN1KMT2AALOX15TDP1
SCHEMBL4404505 0.77 CHRM2 (0.53) KDM4EMEN1KMT2AALOX15TDP1
SCHEMBL4515742 0.76 CHRM2 (0.55) KDM4EMEN1KMT2AALOX15TDP1
SCHEMBL825189 0.75 SMN1; SMN2 (0.68) KDM4EMEN1KMT2AALOX15TDP1

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-2008021788-A2 POLYAMINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (CN) 2008-02-21 WO disclosed