SCHEMBL28666603

SCHEMBL28666603

FC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.68
ALDH1A1 P00352 6/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 5/20 0.47
KHK P50053 1/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
PKM P14618 4/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
IDO1 P14902 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MASP2 O00187 1/20 0.44
NUDT1 P36639 1/20 0.44
AOC3 Q16853 1/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL29961428 1.00 NPSR1 (0.68) NPSR1ALDH1A1POLBKDM4EKHK
Bromide SCHEMBL10525679 0.98 NPSR1 (0.66) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL23854433 0.93 NPSR1 (0.72) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL5015526 0.89 NPSR1 (0.72) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL4374246 0.89 NPSR1 (0.78) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL9960528 0.83 NPSR1 (0.75) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL29353981 0.81 NPSR1 (1.00) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL10295 0.81 NPSR1 (1.00) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL7532421 0.78 NPSR1 (0.72) NPSR1ALDH1A1POLBKDM4EKHK
SCHEMBL13049405 0.78 NPSR1 (0.72) NPSR1ALDH1A1POLBKDM4EKHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113745539-B Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2022-11-22 CN claimed
CN-113745539-A Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2021-12-03 CN claimed
CN-113745539-B Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2022-11-22 CN disclosed
CN-113745539-A Fluorine-containing non-noble metal oxygen reduction electrocatalyst and preparation method and application thereof 大连理工大学 2021-12-03 CN disclosed