SCHEMBL7219744

SCHEMBL7219744

CCCCc1ccc(C#N)c(CCCC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 6/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 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
SCHEMBL7213748 0.86 KDM4E (0.44) ALDH1A1KDM4EMAPK1HSD17B10MEN1
SCHEMBL19303144 0.79 ALDH1A1 (0.47) KCNH2ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL14534341 0.78 AR (0.42) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL7219805 0.77 NOS2 (0.42) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL7215435 0.76 L3MBTL1 (0.39) ALDH1A1L3MBTL1KDM4EHPGDMAPK1
SCHEMBL4469504 0.76 HSD17B10 (0.40) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL9983754 0.74 CNR1 (0.37) KCNH2ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL22166117 0.73 KCNH2 (0.47) KCNH2ALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL7219978 0.72 HPGD (0.56) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL6184247 0.71 MBOAT4 (0.45) ALDH1A1KDM4ENPSR1HSD17B10MEN1

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