SCHEMBL3698009

SCHEMBL3698009

Cc1cc(C)cc(-c2ccc(N3CCN(C)CC3)c(C(=O)/C=C/c3c(F)cccc3N3CCN(C)CC3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.46
HDAC4 P56524 6/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC7 Q8WUI4 6/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC10 Q969S8 6/20 0.46
HDAC11 Q96DB2 6/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC6 Q9UBN7 6/20 0.46
HDAC9 Q9UKV0 6/20 0.46
HDAC5 Q9UQL6 6/20 0.46
WDR5 P61964 8/20 0.39
GAA P10253 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.36
RBBP5 Q15291 1/20 0.36
ASH2L Q9UBL3 1/20 0.36

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
SCHEMBL3688832 1.00 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686587 0.84 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690596 0.84 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3690334 0.82 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3688315 0.82 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3688833 0.80 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3694442 0.80 APP (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686539 0.80 APP (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3686589 0.80 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3685636 0.79 HDAC3 (0.45) 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 1 patent. 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