SCHEMBL3683565

SCHEMBL3683565

CN(C)CCN(C)c1ccc(/C=C/C(=O)c2ccc3ccccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CNR2 P34972 3/20 0.46
HDAC8 Q9BY41 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3694391 1.00 KMT2A (0.47) KMT2AMEN1CNR2HDAC8HDAC1
SCHEMBL3694146 0.82 HDAC8 (0.45) KMT2AMEN1HDAC8HDAC1HDAC2
SCHEMBL3685268 0.82 HDAC8 (0.45) KMT2AMEN1HDAC8HDAC1HDAC2
SCHEMBL3683620 0.81 PPARA (0.52) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL3691832 0.81 PPARA (0.52) KMT2AMEN1MAPTRAB9AKDM4E
SCHEMBL10275506 0.80 MAPT (0.59) KMT2AMEN1CNR2HDAC8HDAC1
SCHEMBL10275352 0.79 MGAM (0.59) KMT2AMEN1CNR2HDAC8HDAC1
SCHEMBL3683567 0.79 PFKFB3 (0.60) KMT2AMEN1CNR2HDAC8HDAC1
SCHEMBL10275051 0.79 KMT2A (0.58) KMT2AMEN1CNR2HDAC8HDAC1
SCHEMBL5101889 0.77 CYP3A4 (0.55) KMT2AMEN1CNR2HDAC8HDAC1

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
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed