SCHEMBL287729

SCHEMBL287729

CCOC(=O)c1ccccc1NC(=O)C1=CN(CC(=O)Nc2ccccc2)C=CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
TP53 P04637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 5/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 2/20 0.47
MAPK10 P53779 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL287235 0.81 TSHR (0.63) NPSR1TP53TDP1HTTHSD17B10
SCHEMBL286986 0.81 MAPT (0.46) NPSR1TP53TDP1HTTHSD17B10
SCHEMBL287827 0.79 ALDH1A1 (0.41) TP53HTTKDM4EALDH1A1LMNA
SCHEMBL659989 0.78 MEN1 (0.44) TP53TDP1HSD17B10KDM4EALDH1A1
SCHEMBL660292 0.75 ALDH1A1 (0.43) TP53HTTKDM4EALDH1A1LMNA
SCHEMBL286819 0.73 MAPT (0.43) HTTKDM4EALDH1A1LMNARAB9A
SCHEMBL9575455 0.71 KDM4E (0.80) NPSR1TP53TDP1HTTHSD17B10
SCHEMBL31730773 0.71 KDM4E (0.80) NPSR1TP53TDP1HTTHSD17B10
SCHEMBL14855798 0.70 SMN1; SMN2 (0.75) NPSR1TP53TDP1HTTHSD17B10
SCHEMBL23068994 0.70 CA12 (0.63) NPSR1TP53TDP1HTTHSD17B10

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-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed