SCHEMBL4945166

SCHEMBL4945166

CCOC(=O)c1ccc(NC(=O)NCCN)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.65
NAMPT P43490 8/20 0.64
MAPT P10636 5/20 0.64
KMT2A Q03164 8/20 0.63
MEN1 O00255 7/20 0.63
CASP3 P42574 1/20 0.63
TRPV1 Q8NER1 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL359405 0.87 MAPT (0.59) CASRNAMPTMAPTKMT2AMEN1
SCHEMBL20379660 0.86 CASR (0.65) CASRNAMPTMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL321164 0.85 MAPT (0.58) CASRNAMPTMAPTKMT2AMEN1
SCHEMBL14686920 0.83 CASR (0.62) CASRNAMPTMAPTKMT2AMEN1
SCHEMBL9107929 0.82 CA1 (0.59) MAPTKMT2AMEN1CASP3TRPV1
SCHEMBL10550970 0.81 CASR (0.60) CASRNAMPTMAPTKMT2AMEN1
SCHEMBL16223190 0.81 NAMPT (0.69) CASRNAMPTMAPTKMT2AMEN1
SCHEMBL20389122 0.81 NAMPT (0.61) CASRNAMPTMAPTKMT2AMEN1
SCHEMBL27439714 0.80 MAPT (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15714980 0.80 MAPT (0.72) NAMPTMAPTKMT2AMEN1CASP3

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-2008083054-A2 LIGANDS FOR CARDIAC BETA1 ADRENOCEPTOR FOR IMAGING CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-10 WO disclosed
WO-2008083054-A2 LIGANDS FOR CARDIAC BETA1 ADRENOCEPTOR FOR IMAGING CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-10 WO disclosed