SCHEMBL5795576

SCHEMBL5795576

COc1ccc2ncc(NCC(=Cc3ccc(C(=O)NO)cc3)C(O)c3cccc4ccccc34)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.49
HDAC1 Q13547 8/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
KDM1A O60341 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KRAS P01116 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ALPL P05186 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL5824279 0.92 KRAS (0.40) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5808341 0.84 P2RX3 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5808337 0.84 P2RX3 (0.49) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5797415 0.84 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5811548 0.81 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5811555 0.81 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5796420 0.81 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5795528 0.79 HDAC6 (0.39) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5795454 0.78 KMT2A (0.40) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL5797757 0.78 MEN1 (0.40) HDAC6HDAC1HDAC8HDAC3HDAC4

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed