SCHEMBL7219768

SCHEMBL7219768

CCCc1cnc(CCC)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
AR P10275 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
KDM5A P29375 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
CASP3 P42574 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL7219729 0.86 L3MBTL1 (0.42) HPGDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL21705945 0.78 GAA (0.36) HPGDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL7215762 0.78 L3MBTL1 (0.37) HPGDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL12841907 0.74 LOXL2 (0.39) HPGDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL12841855 0.74 CYP11B1 (0.39) HPGDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL13069414 0.73 MAPK1 (0.35) HPGDALDH1A1KDM4EL3MBTL1GAA
SCHEMBL12841908 0.72 NOS3 (0.33) HPGDALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL12842021 0.70 AR (0.37) HPGDALDH1A1KDM4EL3MBTL1AR
SCHEMBL12841667 0.70 HRH4 (0.37) HPGDALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL10731748 0.70 HSD17B10 (0.40) HPGDALDH1A1KDM4EL3MBTL1GAA

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