SCHEMBL5799063

SCHEMBL5799063

COC(=O)c1ccc(C=C(CNc2nc3ccc(OC)cc3s2)CC(O)c2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MCL1 Q07820 1/20 0.48
TOP2A P11388 3/20 0.47
SCD O00767 11/20 0.44
NPC1 O15118 2/20 0.43
HDAC1 Q13547 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
TSHR P16473 1/20 0.42
CSNK1D P48730 1/20 0.42

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 0.94 KMT2A (0.48) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5799236 0.92 SCD (0.47) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5796348 0.89 MEN1 (0.41) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5796715 0.88 MAPT (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5799330 0.84 RAB9A (0.47) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5799332 0.84 RAB9A (0.47) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5799028 0.83 MAPT (0.41) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5796946 0.83 MTNR1A (0.43) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5799059 0.80 NPC1 (0.39) RAB9AMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5798801 0.80 HDAC1 (0.38) MEN1KMT2AHDAC1

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