SCHEMBL5797063

SCHEMBL5797063

COC(=O)c1ccc(C=C(C)CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MAPT P10636 8/20 0.55
MEN1 O00255 7/20 0.55
DYRK1A Q13627 1/20 0.54
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
STAT1 P42224 1/20 0.52
RIPK1 Q13546 1/20 0.52
SCD O00767 1/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MCL1 Q07820 1/20 0.48
ACP1 P24666 1/20 0.48
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
NOD2 Q9HC29 1/20 0.47

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
SCHEMBL5799782 0.91 MAPT (0.59) KMT2AMAPTMEN1DYRK1APOLB
SCHEMBL5807692 0.89 KMT2A (0.55) KMT2AMAPTMEN1DYRK1APOLB
SCHEMBL5795590 0.85 TOP2A (0.58) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL5796715 0.80 MAPT (0.46) KMT2AMAPTMEN1DYRK1APOLB
SCHEMBL5799660 0.77 TOP2A (0.58) KMT2AMAPTMEN1DYRK1APOLB
SCHEMBL5797428 0.76 SCD (0.58) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL5005629 0.72 RIPK1 (0.72) KMT2AMAPTMEN1DYRK1APOLB
SCHEMBL3749121 0.72 RIPK1 (0.68) KMT2AMAPTMEN1DYRK1APOLB
SCHEMBL16747337 0.72 DYRK1A (0.77) KMT2AMAPTMEN1DYRK1APOLB
SCHEMBL3924050 0.72 DYRK1A (1.00) KMT2AMAPTMEN1DYRK1APOLB

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