SCHEMBL13679655

SCHEMBL13679655

CNc1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2-c2ccc(-n3ccnc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.46
▸ MAOB P27338 3/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ ALOX5 P09917 3/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3829650 0.86 RAF1 (0.39) RAF1ALOX5HTTKDM4EMEN1
SCHEMBL13780575 0.82 MAPT (0.47) PTPN1ABCB1ADORA3ADORA2BHTT
SCHEMBL22579360 0.81 MAOB (0.59) MAOBHTTKDM4EMEN1ALDH1A1
SCHEMBL28869394 0.80 MAOB (0.63) PTPN1MAOBHTTKDM4EMEN1
SCHEMBL13679693 0.76 PTPN1 (0.50) PTPN1MAOBABCB1RAF1ADORA3
SCHEMBL13679673 0.75 PTPN1 (0.43) PTPN1ABCB1RAF1ALOX5MAPK14
SCHEMBL6611775 0.73 PTPN1 (0.51) PTPN1ABCB1RAF1ALOX5MAPK14
SCHEMBL32673048 0.72 PTPN1 (0.52) PTPN1ABCB1RAF1ALOX5MAPK14
SCHEMBL22579332 0.71 ADH5 (0.59) MAOBHTTKDM4EMEN1ALDH1A1
SCHEMBL13679695 0.71 NOX1 (0.45) PTPN1ALOX5ADORA3ADORA2BHTT

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-0999835-B1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS TAIJI BIOMEDICAL INC (US) 2009-09-09 — — EP disclosed
Send feedback