SCHEMBL5807692

SCHEMBL5807692

CC(=Cc1ccc(C(=O)NO)cc1)CNc1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MAPT P10636 6/20 0.55
MEN1 O00255 5/20 0.55
DYRK1A Q13627 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
STAT1 P42224 1/20 0.52
MCL1 Q07820 1/20 0.52
RIPK1 Q13546 1/20 0.52
SCD O00767 1/20 0.49
MMP13 P45452 1/20 0.49
ACP1 P24666 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 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) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL5797063 0.89 KMT2A (0.55) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL5797428 0.83 SCD (0.58) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL5799796 0.79 MAPT (0.45) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL5799742 0.78 MAPT (0.44) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL5799747 0.78 MAPT (0.44) KMT2AMAPTMEN1SMN1; SMN2NPC1
SCHEMBL5795590 0.73 TOP2A (0.58) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL5799660 0.73 TOP2A (0.58) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL7128296 0.73 NPC1 (0.77) KMT2AMAPTMEN1DYRK1ASMN1; SMN2
SCHEMBL3924050 0.72 DYRK1A (1.00) KMT2AMAPTMEN1DYRK1ASMN1; 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 2 patents. 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
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