SCHEMBL4603554

SCHEMBL4603554

C#CCOc1c(OC)cc(C(=O)NC2CC2)c(C)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
PTK2 Q05397 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
PDE4B Q07343 1/20 0.39
DRD3 P35462 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39
ULK1 O75385 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
SCHEMBL4604665 0.96 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4602234 0.87 KDM4E (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4604028 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4604866 0.85 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4603541 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4604443 0.79 TAS1R3 (0.50) MAPTKMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL4248615 0.79 MEN1 (0.54) ALDH1A1MEN1KMT2ARAB9AL3MBTL1
SCHEMBL4249996 0.79 MAPK1 (0.53) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL4242233 0.78 MEN1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL4602096 0.77 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A

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-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed