SCHEMBL4012474

SCHEMBL4012474

CC(=O)C(I)=C1Sc2ccc(Br)cc2N1Cc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC11 Q96DB2 5/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39
HDAC9 Q9UKV0 5/20 0.39
HDAC5 Q9UQL6 5/20 0.39
CLK1 P49759 3/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.38
DYRK1A Q13627 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 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
SCHEMBL4014357 0.83 CSNK1E (0.42) CLK1LMNAALDH1A1DYRK1AMEN1
SCHEMBL4018094 0.78 CLK1 (0.64) CLK1LMNAACHEALDH1A1DYRK1A
SCHEMBL2170658 0.67 DYRK1A (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14403544 0.63 DYRK1A (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4012705 0.63 CLK1 (0.61) CLK1LMNAACHEALDH1A1DYRK1A
SCHEMBL4012671 0.62 CLK1 (0.74) CLK1LMNAACHEALDH1A1DYRK1A
SCHEMBL18166903 0.62 CLK1 (0.74) CLK1LMNAACHEALDH1A1DYRK1A
SCHEMBL8035664 0.62 CLK1 (0.56) CLK1TP53LMNAALDH1A1DYRK1A
SCHEMBL4170182 0.61 CLK1 (0.58) CLK1LMNAACHEALDH1A1DYRK1A
SCHEMBL18363036 0.60 HDAC1 (0.54) HDAC1HDAC8HDAC6TP53LMNA

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
WO-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed