SCHEMBL3685552

SCHEMBL3685552

CN(C)Cc1cccc(C=CC(=O)c2c(F)cccc2N2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.49
HDAC3 O15379 11/20 0.49
HDAC1 Q13547 11/20 0.49
HDAC7 Q8WUI4 11/20 0.49
HDAC2 Q92769 11/20 0.49
HDAC10 Q969S8 11/20 0.49
HDAC11 Q96DB2 11/20 0.49
HDAC8 Q9BY41 11/20 0.49
HDAC6 Q9UBN7 11/20 0.49
HDAC9 Q9UKV0 11/20 0.49
HDAC5 Q9UQL6 11/20 0.49
ABCB1 P08183 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.41
MEF2D Q14814 1/20 0.40
KRAS P01116 1/20 0.39
PIM2 Q9P1W9 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
SCHEMBL3686026 0.85 HDAC4 (0.67) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3686065 0.81 HDAC3 (0.46) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3691988 0.80 HDAC3 (0.46) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3688796 0.80 HDAC4 (0.57) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3685549 0.80 HDAC3 (0.46) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3692294 0.76 HDAC4 (0.49) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3687286 0.76 HDAC4 (0.49) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3686024 0.74 HDAC3 (0.48) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3690600 0.74 HDAC3 (0.48) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL3695351 0.74 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 3 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
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