SCHEMBL7219988

SCHEMBL7219988

CCCc1cc(C#N)c(CCC)c(CCC)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.42
CTSS P25774 14/20 0.41
KDM5A P29375 1/20 0.38
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL7219805 0.83 NOS2 (0.42) CTSKCTSSMAPK1
SCHEMBL7213748 0.75 KDM4E (0.44) CTSKCTSSMAPK1RECQL
SCHEMBL16389942 0.74 NOS3 (0.40) CTSKCTSS
SCHEMBL7215442 0.71 L3MBTL1 (0.40) KDM5AMAPK1
SCHEMBL10504739 0.71 MAPK1 (0.46) CTSKCTSSMAPK1RECQL
SCHEMBL7213760 0.70 NOS2 (0.40) KDM5AMAPK1RECQL
SCHEMBL7219012 0.70 CTSK (0.51) CTSKCTSS
SCHEMBL25537805 0.68 CTSK (0.41) CTSKCTSS
SCHEMBL6657408 0.68 KDM4E (0.38) MAPK1RECQL
SCHEMBL7219021 0.67 AR (0.37) CTSKCTSS

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