SCHEMBL5809983

SCHEMBL5809983

COc1ccc2nc(NC/C(=C/c3ccc(C(=O)NO)cc3)CCOc3cccc4ccccc34)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
MCL1 Q07820 1/20 0.46
TOP2A P11388 3/20 0.45
NPC1 O15118 3/20 0.45
HDAC1 Q13547 1/20 0.45
CSNK1D P48730 1/20 0.42
TSHR P16473 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
SCHEMBL5809988 1.00 SCD (0.46) SCDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5799332 0.93 RAB9A (0.47) SCDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5799330 0.93 RAB9A (0.47) SCDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5799066 0.93 KMT2A (0.47) SCDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5808246 0.89 P2RX3 (0.42) SCDMEN1KMT2AKDM4EALDH1A1
SCHEMBL5808243 0.89 P2RX3 (0.42) SCDMEN1KMT2AKDM4EALDH1A1
SCHEMBL5799742 0.87 MAPT (0.44) SCDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5799747 0.87 MAPT (0.44) SCDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5799236 0.84 SCD (0.47) SCDRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5807019 0.84 P2RX3 (0.47) RAB9AKMT2ASMN1; SMN2KDM4EALDH1A1

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 claimed