SCHEMBL22048232

SCHEMBL22048232

CC(C=S)NC(=O)c1cnccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CTSS P25774 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NTRK1 P04629 1/20 0.41
MAPT P10636 1/20 0.39
KLRK1 P26718 9/20 0.38
MICA Q29983 9/20 0.38
RAET1L Q5VY80 9/20 0.38
DGAT2 Q96PD7 1/20 0.38
RBP4 P02753 1/20 0.37
HDAC3 O15379 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL4394775 0.85 NPC1 (0.56) NPC1POLBCTSSALDH1A1NTRK1
SCHEMBL18705566 0.81 NPC1 (0.49) NPC1POLBCTSSALDH1A1NTRK1
SCHEMBL18705673 0.79 NPC1 (0.50) NPC1POLBCTSSALDH1A1NTRK1
SCHEMBL3759581 0.77 POLB (0.59) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL30620180 0.77 NPC1 (0.53) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL21571478 0.77 NPC1 (0.60) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL5106559 0.77 NPC1 (0.53) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL29100737 0.77 NPC1 (0.53) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL15244373 0.77 NPC1 (0.62) NPC1POLBALDH1A1NTRK1MAPT
SCHEMBL3692138 0.76 NPC1 (0.56) NPC1POLBALDH1A1NTRK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3659438-A1 COMPOUNDS AND COMPOSITIONS HAVING KNOCK-DOWN OR BLOOD FEED INHIBITION ACTIVITY AGAINST INSECT PESTS SYNGENTA PARTICIPATIONS AG (CH) 2020-06-03 EP disclosed