SCHEMBL7219799

SCHEMBL7219799

CCCc1cc(CCC)c(C#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.40
CTSK P43235 9/20 0.36
CTSS P25774 6/20 0.35
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7213412 0.86 AR (0.42) ARMAPK1KDM4EHSD17B10TSHR
SCHEMBL7219021 0.86 AR (0.37) ARCTSKCTSSKDM4EHSD17B10
SCHEMBL19771880 0.82 CTSK (0.40) ARCTSKCTSSMAPK1KDM4E
SCHEMBL11401162 0.82 CHEK1 (0.38) ARCTSKMAPK1KDM4EHSD17B10
SCHEMBL24135362 0.81 PGK1 (0.37) ARCTSKCTSSMAPK1KDM4E
SCHEMBL25537805 0.80 CTSK (0.41) ARCTSKCTSSKDM4EHSD17B10
SCHEMBL7213409 0.78 MAPK1 (0.39) ARMAPK1KDM4EHSD17B10TSHR
SCHEMBL23832142 0.77 AR (0.39) ARCTSKCTSSKDM4EHSD17B10
SCHEMBL23832138 0.77 PGK1 (0.44) ARCTSKCTSSKDM4E
SCHEMBL16389971 0.77 KDM4E (0.39) KDM4ETSHRLMNACYP3A4L3MBTL1

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