SCHEMBL7213414

SCHEMBL7213414

CCCCc1cncc(C#N)c1CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
MAPK1 P28482 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7220043 0.86 CYP2E1 (0.37) KMT2AMEN1KDM5AARPRKCQ
SCHEMBL7215525 0.78 ALDH1A1 (0.41) L3MBTL1ALDH1A1HPGDNPSR1RAB9A
SCHEMBL7215542 0.76 L3MBTL1 (0.40) L3MBTL1ALDH1A1HPGDNPSR1RAB9A
SCHEMBL7219105 0.76 CYP2E1 (0.49) L3MBTL1ALDH1A1HPGDNPSR1RAB9A
SCHEMBL7215529 0.74 KDM5A (0.39) L3MBTL1ALDH1A1HPGDMAPK1KDM4E
SCHEMBL21736855 0.73 KDM5A (0.39) ALDH1A1MAPK1KDM4EHSD17B10KDM5A
SCHEMBL29467123 0.71 TYR (0.39) L3MBTL1ALDH1A1HPGDNPSR1RAB9A
SCHEMBL29739420 0.71 ALDH1A1 (0.36) L3MBTL1ALDH1A1HPGDNPSR1RAB9A
SCHEMBL6472029 0.71 CYP2E1 (0.48) L3MBTL1ALDH1A1HPGDNPSR1RAB9A
SCHEMBL21736854 0.71 KDM5A (0.39) L3MBTL1ALDH1A1HPGDMAPK1KDM4E

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