SCHEMBL8858583

SCHEMBL8858583

C#CCON=CC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 2/20 0.41
BCHE P06276 2/20 0.41
PLIN1 O60240 1/20 0.41
TNFRSF1A P19438 1/20 0.41
ACHE P22303 1/20 0.41
MAOB P27338 1/20 0.41
PLIN5 Q00G26 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
AKT1 P31749 2/20 0.40
NFE2L2 Q16236 1/20 0.39
HPGD P15428 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39

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
SCHEMBL8858581 1.00 NPC1 (0.42) NPC1ALDH1A1MAPK1TDP1MAPT
SCHEMBL27543593 0.72 NPC1 (0.49) NPC1LMNAACHERAB9AL3MBTL1
SCHEMBL6835126 0.71 L3MBTL1 (0.41) NPC1ALDH1A1MAPK1RECQLLMNA
SCHEMBL29006674 0.70 MAPT (0.68) NPC1ALDH1A1MAPTRECQLLMNA
SCHEMBL29006676 0.70 MAPT (0.68) NPC1ALDH1A1MAPTRECQLLMNA
SCHEMBL576636 0.69 NPC1 (0.69) NPC1ALDH1A1MAPK1TDP1RECQL
SCHEMBL2680021 0.68 ALDH1A1 (0.56) NPC1ALDH1A1MAPK1TDP1MAPT
SCHEMBL1370683 0.68 ALDH1A1 (0.56) NPC1ALDH1A1MAPK1TDP1MAPT
Benzene SCHEMBL27436197 0.68 ALDH1A1 (0.56) NPC1ALDH1A1MAPK1TDP1MAPT
SCHEMBL105986 0.68 ALDH1A1 (0.56) NPC1ALDH1A1MAPK1TDP1MAPT

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-5608109-A AGRICULTURAL AND HORTICULTURAL INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 1997-03-04 US disclosed
EP-0657421-A1 Hydrazine derivatives and their use as insecticides NIHON NOHYAKU CO., LTD. (JP) 1995-06-14 EP disclosed