SCHEMBL7215762

SCHEMBL7215762

CCc1cnc(CC)c(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 3/20 0.36
CYP2A6 P11509 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
PDE10A Q9Y233 1/20 0.34
LRRK2 Q5S007 1/20 0.33
PARP1 P09874 1/20 0.33
AR P10275 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
SCHEMBL12841907 0.87 LOXL2 (0.39) L3MBTL1MEN1KMT2AHPGDCYP1A2
SCHEMBL12841855 0.87 CYP11B1 (0.39) L3MBTL1MEN1KMT2AHPGDCYP1A2
SCHEMBL12841908 0.82 NOS3 (0.33) L3MBTL1MEN1KMT2AHPGDCYP1A2
SCHEMBL12841766 0.82 CHRNB2 (0.38) L3MBTL1MEN1KMT2AHPGDALDH1A1
SCHEMBL12841673 0.81 HTT (0.39) L3MBTL1MEN1KMT2AHPGDCYP2A6
SCHEMBL29658828 0.81 HTT (0.39) L3MBTL1MEN1KMT2AHPGDCYP2A6
SCHEMBL12841775 0.81 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AHPGDALDH1A1
SCHEMBL21400936 0.81 CHRNB2 (0.38) L3MBTL1MEN1KMT2AHPGDCYP2A6
SCHEMBL12841666 0.81 AR (0.33) L3MBTL1MEN1KMT2AHPGDCYP1A2
SCHEMBL12842024 0.81 AR (0.33) L3MBTL1MEN1KMT2AHPGDCYP1A2

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