SCHEMBL3690147

SCHEMBL3690147

Cc1ccccc1-c1cc(C=CC(=O)c2ccccc2CN(C)C)cc(N2CCCN(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.42
HDAC4 P56524 13/20 0.42
HDAC1 Q13547 13/20 0.42
HDAC7 Q8WUI4 13/20 0.42
HDAC2 Q92769 13/20 0.42
HDAC10 Q969S8 13/20 0.42
HDAC11 Q96DB2 13/20 0.42
HDAC8 Q9BY41 13/20 0.42
HDAC6 Q9UBN7 13/20 0.42
HDAC9 Q9UKV0 13/20 0.42
HDAC5 Q9UQL6 13/20 0.42
TACR1 P25103 3/20 0.39
PIM2 Q9P1W9 3/20 0.37
PIM1 P11309 2/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ABCB1 P08183 1/20 0.34

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
SCHEMBL3687417 0.97 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3685019 0.91 ABCB1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3685079 0.87 ABCB1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686699 0.86 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3692712 0.83 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690144 0.83 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3688891 0.82 TACR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3681669 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3697882 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3687415 0.79 HDAC3 (0.41) 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