SCHEMBL5797634

SCHEMBL5797634

O=C(O)c1ccc(C=C(CNc2cccc3cccnc23)CC(O)c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC6 Q9UBN7 5/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
KDR P35968 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL5799057 0.91 HDAC6 (0.52) MAPTKDM4ESMN1; SMN2HDAC6HDAC3
SCHEMBL5796597 0.90 MAPT (0.43) MAPTMCL1KDM4ESMN1; SMN2KMT2A
SCHEMBL5799741 0.83 ALDH1A1 (0.40) MAPTMCL1KDM4ESMN1; SMN2KMT2A
SCHEMBL5799654 0.82 NPC1 (0.39) MAPTMCL1KDM4ESMN1; SMN2KMT2A
SCHEMBL5819578 0.81 HDAC6 (0.41) KDM4EHDAC6HDAC3HDAC1HDAC2
SCHEMBL5796765 0.80 MAPT (0.41) MAPTMCL1KDM4ESMN1; SMN2KMT2A
SCHEMBL5799640 0.79 MAPT (0.52) MAPTMCL1KDM4EKMT2APOLB
SCHEMBL5799662 0.77 HDAC6 (0.48) MAPTMCL1KDM4EHDAC6HDAC3
SCHEMBL5799682 0.77 NPC1 (0.39) MAPTMCL1HDAC6HDAC3HDAC1
SCHEMBL5799923 0.77 GCGR (0.43) MAPTMCL1KDM4EKMT2ANPC1

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