SCHEMBL3681669

SCHEMBL3681669

Cc1ccccc1-c1ccc(N2CCN(C)CC2)c(C=CC(=O)c2ccccc2CN(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.41
HDAC4 P56524 8/20 0.41
HDAC1 Q13547 8/20 0.41
HDAC7 Q8WUI4 8/20 0.41
HDAC2 Q92769 8/20 0.41
HDAC10 Q969S8 8/20 0.41
HDAC11 Q96DB2 8/20 0.41
HDAC8 Q9BY41 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC9 Q9UKV0 8/20 0.41
HDAC5 Q9UQL6 8/20 0.41
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL3686777 0.91 PDCD1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3681667 0.89 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3693429 0.89 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3681137 0.87 SMYD2 (0.36) TSHRNMT2NMT1PTPN1
SCHEMBL3691047 0.87 MEN1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690513 0.85 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687288 0.85 BCHE (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686504 0.85 HSP90AA1 (0.41) MEN1ALDH1A1KMT2ADRD2
SCHEMBL3688985 0.84 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3685247 0.83 ALDH1A1 (0.43) 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