SCHEMBL3687288

SCHEMBL3687288

Cc1ccccc1-c1ccc(N2CCN(C)CC2)c(C=CC(=O)c2cccc(CN(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
HDAC3 O15379 9/20 0.41
HDAC4 P56524 9/20 0.41
HDAC1 Q13547 9/20 0.41
HDAC7 Q8WUI4 9/20 0.41
HDAC2 Q92769 9/20 0.41
HDAC10 Q969S8 9/20 0.41
HDAC11 Q96DB2 9/20 0.41
HDAC8 Q9BY41 9/20 0.41
HDAC6 Q9UBN7 9/20 0.41
HDAC9 Q9UKV0 9/20 0.41
HDAC5 Q9UQL6 9/20 0.41
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 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
SCHEMBL3691047 0.88 MEN1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686504 0.86 HSP90AA1 (0.41) MEN1ALDH1A1KMT2AMAPTRELA
SCHEMBL3687405 0.85 NPC1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687409 0.85 NPC1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690600 0.85 HDAC3 (0.48) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL3686024 0.85 HDAC3 (0.48) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL3681669 0.85 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3689596 0.84 HTR7 (0.48) BCHEHDAC3HDAC4HDAC1HDAC7
SCHEMBL3692294 0.83 HDAC4 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687286 0.83 HDAC4 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US claimed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP claimed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO claimed
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
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 WO disclosed