SCHEMBL5799236

SCHEMBL5799236

COc1ccc2nc(NCC(=Cc3ccc(C(=O)NO)cc3)CC(O)c3cccc4ccccc34)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TOP2A P11388 2/20 0.46
NPC1 O15118 2/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL5822231 0.92 KMT2A (0.48) SCDMEN1RAB9AKMT2AKDM4E
SCHEMBL5799063 0.92 RAB9A (0.48) SCDMEN1RAB9AKMT2AKDM4E
SCHEMBL5798801 0.88 HDAC1 (0.38) MEN1KMT2AHDAC1
SCHEMBL5799796 0.86 MAPT (0.45) SCDMEN1RAB9AKMT2AALDH1A1
SCHEMBL5809988 0.84 SCD (0.46) SCDMEN1RAB9AKMT2AKDM4E
SCHEMBL5809983 0.84 SCD (0.46) SCDMEN1RAB9AKMT2AKDM4E
SCHEMBL5818112 0.82 BCHE (0.38) MEN1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL5796348 0.82 MEN1 (0.41) SCDMEN1RAB9AKMT2AKDM4E
SCHEMBL5796715 0.81 MAPT (0.46) SCDMEN1KMT2AALDH1A1MAPT
SCHEMBL5797428 0.80 SCD (0.58) SCDMEN1RAB9AKMT2AKDM4E

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