SCHEMBL1070645

SCHEMBL1070645

CC(=O)c1ccc(CN2C(C)COCC2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
HRH3 Q9Y5N1 6/20 0.42
LMNA P02545 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
GRM2 Q14416 1/20 0.40
MAOB P27338 2/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.39
OPRK1 P41145 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MAOA P21397 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1014488 1.00 KMT2A (0.46) KMT2AHRH3LMNAHRH4GRM2
SCHEMBL1013773 1.00 KMT2A (0.46) KMT2AHRH3LMNAHRH4GRM2
SCHEMBL4268087 0.86 GRM2 (0.47) KMT2AGRM2HDAC1HDAC6MEN1
SCHEMBL13674810 0.80 LTA4H (0.52) KMT2AHRH3HRH4GRM2MAOB
SCHEMBL1013735 0.79 MLYCD (0.40) KMT2AGRM2HDAC1HDAC6OPRK1
SCHEMBL1013734 0.79 MLYCD (0.40) KMT2AGRM2HDAC1HDAC6OPRK1
SCHEMBL1014953 0.79 MLYCD (0.40) KMT2AGRM2HDAC1HDAC6OPRK1
SCHEMBL171824 0.78 KMT2A (0.43) KMT2AHRH3LMNAMEN1OPRK1
SCHEMBL4268092 0.77 ALDH1A1 (0.49) HRH3LMNAHRH4GRM2ALDH1A1
SCHEMBL30474558 0.76 CHRM2 (0.46) LMNAALDH1A1MAPT

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-2272835-A1 NOVEL FIVE-MEMBERED RING COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-01-12 EP disclosed