SCHEMBL4602234

SCHEMBL4602234

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
PTK2 Q05397 1/20 0.41
DRD3 P35462 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
PDE4B Q07343 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
TSHR P16473 1/20 0.38
HTR4 Q13639 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4603541 0.96 ALDH1A1 (0.48) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4603936 0.88 ALDH1A1 (0.49) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4602096 0.88 ALDH1A1 (0.46) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4603554 0.87 ALDH1A1 (0.46) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4604358 0.83 TAS1R3 (0.41) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4604665 0.83 ALDH1A1 (0.50) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL11711686 0.82 ALDH1A1 (0.64) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4603371 0.81 HPGD (0.42) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4605222 0.80 HPGD (0.41) ALDH1A1RAB9AL3MBTL1CNR1CNR2
SCHEMBL4602808 0.80 HPGD (0.44) ALDH1A1PTK2RAB9AL3MBTL1CNR1

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