SCHEMBL5796715

SCHEMBL5796715

COC(=O)c1ccc(C=C(CNc2nc3ccc([N+](=O)[O-])cc3s2)CC(O)c2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
RIPK1 Q13546 1/20 0.42
DYRK1A Q13627 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
STAT1 P42224 1/20 0.41
SCD O00767 1/20 0.40
ACP1 P24666 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL5797235 0.92 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5799796 0.91 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5799063 0.88 RAB9A (0.48) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL5796348 0.86 MEN1 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5822231 0.82 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5799028 0.81 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5799236 0.81 SCD (0.47) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL5797063 0.80 KMT2A (0.55) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5799059 0.78 NPC1 (0.39) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5808427 0.77 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1LMNA

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