SCHEMBL7219729

SCHEMBL7219729

CCCCc1cnc(CCCC)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
NFKB1 P19838 4/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL7219768 0.86 HPGD (0.36) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10731748 0.78 HSD17B10 (0.40) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11050476 0.78 PTGS2 (0.43) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21089255 0.77 CTSS (0.36) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7215762 0.75 L3MBTL1 (0.37) L3MBTL1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL21149414 0.74 NAAA (0.46) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12841667 0.74 HRH4 (0.37) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7220029 0.72 TSHR (0.44) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11382785 0.72 MAPK1 (0.38) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10334702 0.72 HSD17B10 (0.46) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2

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