SCHEMBL7215435

SCHEMBL7215435

CCc1ccc(C#N)c(CC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
PDE10A Q9Y233 1/20 0.36
HTT P42858 2/20 0.35
GLA P06280 1/20 0.35
CYP2A6 P11509 1/20 0.34
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
TSHR P16473 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
KDM5A P29375 2/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
GAA P10253 3/20 0.33

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
SCHEMBL13761490 0.86 L3MBTL1 (0.36) L3MBTL1MEN1KMT2APDE10ACYP2A6
SCHEMBL3234617 0.83 MEN1 (0.46) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL3135265 0.81 KDM5A (0.35) L3MBTL1MEN1KMT2APDE10ATSHR
SCHEMBL2202382 0.80 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AHTTGLA
SCHEMBL3809157 0.80 GLA (0.40) L3MBTL1MEN1KMT2AHTTGLA
SCHEMBL13077109 0.80 L3MBTL1 (0.37) L3MBTL1MEN1KMT2AHTTGLA
SCHEMBL2394294 0.79 MBOAT4 (0.45) L3MBTL1HTTGLAALDH1A1TSHR
SCHEMBL10271764 0.79 MBOAT4 (0.39) L3MBTL1MEN1KMT2ACYP2A6PARP1
SCHEMBL30164142 0.79 MBOAT4 (0.45) L3MBTL1HTTGLAALDH1A1TSHR
SCHEMBL14270043 0.79 TSHR (0.43) L3MBTL1MEN1KMT2AALDH1A1HPGD

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
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed