SCHEMBL6209530

SCHEMBL6209530

O=C(NCCCCC(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.43
KMT2A Q03164 4/20 0.43
DPP4 P27487 3/20 0.41
MAPK14 Q16539 1/20 0.41
NAMPT P43490 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CTSK P43235 2/20 0.39
MEN1 O00255 2/20 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
SCHEMBL6211258 0.92 KMT2A (0.54) KMT2ADPP4NAMPTCTSKMEN1
SCHEMBL6210116 0.90 TLR7 (0.44) KMT2ADPP4NAMPTCTSKMEN1
SCHEMBL6211589 0.90 RAB9A (0.46) CHRM4KMT2ADPP4NAMPTHDAC6
SCHEMBL6210232 0.90 KMT2A (0.52) KMT2ADPP4NAMPTHDAC6CTSK
SCHEMBL6212982 0.88 CTSK (0.50) KMT2ANAMPTHDAC6CTSKMEN1
SCHEMBL6210300 0.88 DPP4 (0.47) KMT2ADPP4NAMPTHDAC6CTSK
SCHEMBL6209350 0.88 NAMPT (0.40) KMT2ADPP4NAMPTHDAC6CTSK
SCHEMBL6211548 0.85 CHRM4 (0.42) CHRM4KMT2ADPP4NAMPTHDAC6
SCHEMBL6211807 0.85 DPP4 (0.42) CHRM4KMT2ADPP4MAPK14NAMPT
SCHEMBL6212663 0.84 TAOK1 (0.39) KMT2ADPP4NAMPTHDAC6CTSK

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-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO disclosed