SCHEMBL30113073

SCHEMBL30113073

Nc1cccnc1C(F)(F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAPRT Q6XQN6 3/20 0.42
TLR7 Q9NYK1 1/20 0.39
SHMT2 P34897 1/20 0.36
L3MBTL1 Q9Y468 6/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 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
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL17420642 0.79 SSTR4 (0.42) HTTHSD17B10NAPRTL3MBTL1KDM4E
SCHEMBL30628207 0.79 SSTR4 (0.42) HTTHSD17B10NAPRTL3MBTL1KDM4E
SCHEMBL17420680 0.79 SSTR4 (0.45) HTTHSD17B10NAPRTHDAC6ALDH1A1
SCHEMBL1025834 0.77 HTT (0.46) HTTHSD17B10TLR7L3MBTL1KDM4E
Trifluoroacetic Acid SCHEMBL27758920 0.74 SMN1; SMN2 (0.49) HTTHSD17B10NAPRTTLR7L3MBTL1
SCHEMBL30113041 0.73 PDE10A (0.45) HTTL3MBTL1KDM4ETDP1ALDH1A1
SCHEMBL20689253 0.73 NOS3 (0.39) HTTHSD17B10TLR7L3MBTL1KDM4E
SCHEMBL17420553 0.72 GLA (0.45) HTTL3MBTL1ALDH1A1MAPTTSHR
Trifluoroacetic Acid SCHEMBL3213348 0.71 HTT (0.40) HTTHSD17B10NAPRTTLR7SHMT2
SCHEMBL20771264 0.70 NAPRT (0.38) HTTHSD17B10NAPRTL3MBTL1KDM4E

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-4091449-A1 WEED CONTROL METHOD Syngenta Crop Protection AG (CH) 2022-11-23 EP disclosed