SCHEMBL13931997

SCHEMBL13931997

CCOC(=O)c1nc(-c2ccc(C)cc2)cn1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
TARBP2 Q15633 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 6/20 0.43
HPGD P15428 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TLR8 Q9NR97 1/20 0.43
MAPT P10636 3/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2617373 0.89 HTT (0.51) GABRA2GABRB2TARBP2SMN1; SMN2NPC1
SCHEMBL10269164 0.88 GABRA2 (0.44) GABRA2GABRB2TARBP2SMN1; SMN2ALDH1A1
SCHEMBL10269165 0.84 TARBP2 (0.50) GABRA2GABRB2TARBP2SMN1; SMN2ALDH1A1
SCHEMBL13637087 0.78 HTT (0.48) GABRA2GABRB2TARBP2SMN1; SMN2NPC1
SCHEMBL13932504 0.78 CASP3 (0.39) GABRA2GABRB2TARBP2TLR8MAPT
SCHEMBL2630582 0.77 CENPE (0.36) ALDH1A1NPC1RAB9AL3MBTL1TLR8
SCHEMBL14516368 0.76 GABRA2 (0.41) GABRA2GABRB2SMN1; SMN2ALDH1A1NPC1
SCHEMBL14531655 0.75 RAB9A (0.45) GABRA2GABRB2TARBP2SMN1; SMN2ALDH1A1
SCHEMBL23214261 0.75 LMNA (0.42) GABRA2GABRB2SMN1; SMN2ALDH1A1NPC1
SCHEMBL31332945 0.75 NPC1 (0.42) GABRA2GABRB2SMN1; SMN2ALDH1A1NPC1

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
US-7504413-B2 N-(4-(imidazo[1,2A]pyridin-YL)phenethyl)benzamide inhibitors of the mitotic kinesin CENP-E for treating certain cellular proliferation diseases CYTOKINETICS, INC. (US) 2009-03-17 US disclosed