SCHEMBL5797235

SCHEMBL5797235

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 4/20 0.42
ACP1 P24666 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
S1PR2 O95136 1/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
RIPK1 Q13546 1/20 0.41
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.40
STAT1 P42224 1/20 0.40
MCL1 Q07820 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5799796 0.93 MAPT (0.45) MAPTKMT2AMEN1LMNAACP1
SCHEMBL5796715 0.92 MAPT (0.46) MAPTKMT2AMEN1LMNAACP1
SCHEMBL5822231 0.85 KMT2A (0.48) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5808427 0.84 MAPT (0.48) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5808433 0.84 MAPT (0.48) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5799063 0.79 RAB9A (0.48) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5799782 0.79 MAPT (0.59) MAPTKMT2AMEN1LMNAACP1
SCHEMBL5799236 0.78 SCD (0.47) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5796348 0.78 MEN1 (0.41) MAPTKMT2AMEN1LMNAACP1
SCHEMBL5799747 0.77 MAPT (0.44) MAPTKMT2AMEN1LMNASMN1; SMN2

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