SCHEMBL7213748

SCHEMBL7213748

CCCc1ccc(C#N)c(CCC)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTSK P43235 14/20 0.41
CTSS P25774 11/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PGK1 P00558 1/20 0.36
CYP19A1 P11511 1/20 0.35

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
SCHEMBL7219744 0.86 KCNH2 (0.42) KDM4EHSD17B10MAPK1MEN1ALDH1A1
SCHEMBL4469504 0.85 HSD17B10 (0.40) KDM4EHSD17B10CTSKCTSSMAPK1
SCHEMBL20201194 0.81 L3MBTL1 (0.40) KDM4ECTSKMAPK1RECQLMEN1
SCHEMBL6184247 0.81 MBOAT4 (0.45) KDM4EHSD17B10CTSKCTSSMEN1
SCHEMBL7215435 0.79 L3MBTL1 (0.39) KDM4EHSD17B10MAPK1MEN1ALDH1A1
SCHEMBL14534324 0.76 AR (0.39) KDM4ECTSKCTSSMAPK1RECQL
SCHEMBL7219988 0.75 CTSK (0.42) CTSKCTSSMAPK1RECQL
SCHEMBL13761490 0.74 L3MBTL1 (0.36) KDM4EHSD17B10MAPK1MEN1ALDH1A1
SCHEMBL16548416 0.72 KDM4E (0.41) KDM4EHSD17B10CTSKCTSSMAPK1
SCHEMBL26537080 0.72 PDE3B (0.36) KDM4EHSD17B10CTSKCTSSMAPK1

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