SCHEMBL3687286

SCHEMBL3687286

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.49
HDAC3 O15379 9/20 0.49
HDAC1 Q13547 9/20 0.49
HDAC7 Q8WUI4 9/20 0.49
HDAC2 Q92769 9/20 0.49
HDAC10 Q969S8 9/20 0.49
HDAC11 Q96DB2 9/20 0.49
HDAC8 Q9BY41 9/20 0.49
HDAC6 Q9UBN7 9/20 0.49
HDAC9 Q9UKV0 9/20 0.49
HDAC5 Q9UQL6 9/20 0.49
TACR1 P25103 2/20 0.39
GAA P10253 1/20 0.38
PIM2 Q9P1W9 1/20 0.37
AR P10275 1/20 0.37
WDR5 P61964 1/20 0.37
CREBBP Q92793 1/20 0.37
MEF2D Q14814 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL3692294 1.00 HDAC4 (0.49) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3694018 0.88 HDAC3 (0.44) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3691044 0.88 HDAC3 (0.44) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3681667 0.86 HDAC3 (0.41) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3693429 0.86 HDAC3 (0.41) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3686500 0.85 SMN1; SMN2 (0.44) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3690742 0.85 SMN1; SMN2 (0.44) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3686026 0.85 HDAC4 (0.67) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3687288 0.83 BCHE (0.42) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3696160 0.83 HDAC3 (0.49) HDAC4HDAC3HDAC1HDAC7HDAC2

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