SCHEMBL7765704

SCHEMBL7765704

[NH]C(=S)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.54
ALDH1A1 P00352 3/20 0.50
FFAR1 O14842 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL7769269 0.86 HDAC1 (0.57) KEAP1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL7773710 0.85 MAPT (0.57) SMN1; SMN2HDAC2HDAC8HDAC6HDAC1
SCHEMBL7771090 0.83 MAPT (0.60) SMN1; SMN2HDAC2HDAC8HDAC6HDAC1
SCHEMBL7771027 0.83 MAPT (0.60) SMN1; SMN2HDAC2HDAC8HDAC6HDAC1
SCHEMBL1603029 0.80 KEAP1 (0.58) KEAP1ALDH1A1FFAR1SMN1; SMN2NPC1
SCHEMBL3368202 0.77 CES1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AHDAC8
SCHEMBL11552318 0.76 KEAP1 (0.54) KEAP1ALDH1A1FFAR1SMN1; SMN2NPC1
SCHEMBL468378 0.76 KEAP1 (0.67) KEAP1ALDH1A1FFAR1SMN1; SMN2NPC1
SCHEMBL3651336 0.76 KEAP1 (0.54) KEAP1ALDH1A1FFAR1SMN1; SMN2NPC1
SCHEMBL941162 0.76 ALDH1A1 (0.61) KEAP1ALDH1A1FFAR1SMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed