SCHEMBL21238089

SCHEMBL21238089

CC1CCC/C(=C\NCc2ccccc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 10/20 0.55
MAPT P10636 5/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 3/20 0.55
HTT P42858 2/20 0.55
RCE1 Q9Y256 1/20 0.55
RAB9A P51151 6/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALOX12 P18054 2/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51
CASP1 P29466 1/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
USP2 O75604 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
SCHEMBL1309772 0.76 KMT2A (0.94) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL1309770 0.76 KMT2A (0.94) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL3437935 0.73 HPGD (0.61) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL8675213 0.73 HPGD (0.61) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL3437937 0.73 HPGD (0.61) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL14972764 0.72 KMT2A (0.66) KMT2AALDH1A1MAPTGAAL3MBTL1
SCHEMBL14972763 0.72 KMT2A (0.66) KMT2AALDH1A1MAPTGAAL3MBTL1
SCHEMBL21238486 0.71 ALDH1A1 (0.51) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL1310500 0.69 KMT2A (0.60) KMT2AALDH1A1MAPTGAAL3MBTL1
SCHEMBL19043443 0.67 KMT2A (0.57) KMT2AALDH1A1MAPTKDM4EL3MBTL1

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
WO-2019152946-A1 COMPOUNDS FOR THE TREATMENT OF PAIN ALKERMES, INC. (US) 2019-08-08 WO disclosed