SCHEMBL4693771

SCHEMBL4693771

CCC1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C#N)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.63
ALDH1A1 P00352 8/20 0.62
HPGD P15428 4/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
POLB P06746 1/20 0.62
GCGR P47871 3/20 0.57
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
TNIK Q9UKE5 1/20 0.50
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 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
SCHEMBL20248965 0.80 MAPT (0.78) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2648459 0.80 ALDH1A1 (0.69) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2644228 0.80 ALDH1A1 (0.72) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL2644794 0.80 MAPK10 (0.72) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4693720 0.79 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1207343 0.78 ALDH1A1 (0.52) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2644393 0.77 L3MBTL1 (0.67) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL2648406 0.77 GCGR (0.70) PTPN5ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL2643514 0.76 ALDH1A1 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL2643746 0.76 ALDH1A1 (0.52) ALDH1A1HPGDMAPTSMN1; SMN2GCGR

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
EP-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP claimed