SCHEMBL5797757

SCHEMBL5797757

COc1ccc2ncc(NCC(=Cc3ccc(C(=O)O)cc3)C(O)c3cccc4ccccc34)cc2c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CTSD P07339 2/20 0.36
GAA P10253 3/20 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
SCHEMBL5795454 0.94 KMT2A (0.40) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL5808510 0.85 HPGD (0.47) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL5808512 0.85 HPGD (0.47) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL5795528 0.81 HDAC6 (0.39) MEN1KMT2AKDM4EHDAC3HDAC4
SCHEMBL5824279 0.79 KRAS (0.40) HPGDSMN1; SMN2NPC1RAB9AHDAC3
SCHEMBL5795576 0.78 HDAC6 (0.49) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL5796420 0.77 HDAC6 (0.38) HPGDSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5798771 0.76 FAAH (0.43) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5796094 0.75 HDAC3 (0.56) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL5797415 0.72 HDAC6 (0.70) 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
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