SCHEMBL4647915

SCHEMBL4647915

Cc1ccc(NC(=O)C=COc2ccccc2)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.52
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 4/20 0.50
HIF1A Q16665 2/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FKBP5 Q13451 1/20 0.48
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
THRB P10828 2/20 0.46

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
SCHEMBL4647415 0.89 HIF1A (0.47) SMN1; SMN2ALDH1A1KMT2AHIF1AMAPT
SCHEMBL4645027 0.84 MMP1 (0.61) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4648540 0.83 MMP1 (0.64) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4645874 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL4644760 0.81 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL4647116 0.81 MMP1 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4646053 0.81 MMP1 (0.71) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4646819 0.81 MAPT (0.54) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL4646849 0.80 MMP1 (0.68) SMN1; SMN2ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL15708527 0.80 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1CYP1A2NPC1RAB9A

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
EP-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed