SCHEMBL12893243

SCHEMBL12893243

CNCCCCNC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
HTT P42858 2/20 0.66
ALDH1A1 P00352 5/20 0.61
NFKB1 P19838 1/20 0.61
KCNH2 Q12809 1/20 0.61
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
THRB P10828 1/20 0.59
BLM P54132 1/20 0.59
ATM Q13315 1/20 0.59
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
TP53 P04637 1/20 0.53
HIF1A Q16665 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
EPHX2 P34913 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL13052020 0.91 SMN1; SMN2 (0.56) SMN1; SMN2HTTALDH1A1NFKB1KCNH2
SCHEMBL5506823 0.88 SMN1; SMN2 (0.77) SMN1; SMN2HTTALDH1A1NFKB1KCNH2
SCHEMBL13165401 0.87 ALDH1A1 (0.63) ALDH1A1POLBHDAC3HDAC1HDAC2
SCHEMBL11719722 0.86 SMN1; SMN2 (0.75) SMN1; SMN2HTTALDH1A1NFKB1KCNH2
SCHEMBL11715301 0.86 SMN1; SMN2 (0.75) SMN1; SMN2HTTALDH1A1NFKB1KCNH2
SCHEMBL5502874 0.86 SMN1; SMN2 (0.79) SMN1; SMN2HTTALDH1A1NFKB1KCNH2
SCHEMBL22276926 0.85 SMN1; SMN2 (0.63) SMN1; SMN2HTTALDH1A1NFKB1KCNH2
SCHEMBL13052018 0.82 ALDH1A1 (0.55) SMN1; SMN2HTTALDH1A1NFKB1KCNH2
SCHEMBL15170741 0.82 NPC1 (0.58) ALDH1A1POLBHDAC3HDAC1HDAC2
SCHEMBL9925387 0.82 NPC1 (0.58) ALDH1A1POLBHDAC3HDAC1HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879953-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2011-02-01 US disclosed
US-7786249-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2010-08-31 US disclosed
US-7772359-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2010-08-10 US disclosed
US-7632914-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2009-12-15 US disclosed
US-20090012606-A1 BIOBENEFICIAL POLYAMIDE/POLYETHYLENE GLYCOL POLYMERS FOR USE WITH DRUG ELUTING STENTS PACETTI STEPHEN D 2009-01-08 US disclosed
US-20090012243-A1 BIOBENEFICIAL POLYAMIDE/POLYETHYLENE GLYCOL POLYMERS FOR USE WITH DRUG ELUTING STENTS PACETTI STEPHEN D 2009-01-08 US disclosed
US-20090012259-A1 BIOBENEFICIAL POLYAMIDE/POLYETHYLENE GLYCOL POLYMERS FOR USE WITH DRUG ELUTING STENTS PACETTI STEPHEN D 2009-01-08 US disclosed
US-7435788-B2 Biobeneficial polyamide/polyethylene glycol polymers for use with drug eluting stents ADVANCED CARDIOVASCULAR SYSTEMS, INC. (US) 2008-10-14 US disclosed