SCHEMBL26333364

SCHEMBL26333364

N#Cc1cccc(C(=O)NI)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.57
GRM5 P41594 5/20 0.56
IRAK4 Q9NWZ3 1/20 0.52
KAT6A Q92794 2/20 0.51
GPR139 Q6DWJ6 1/20 0.49
S1PR3 Q99500 1/20 0.49
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3610584 0.87 KAT6A (0.59) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL29865489 0.85 SMPD1 (0.58) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL28815665 0.85 SMPD1 (0.58) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL6970398 0.84 GSK3B (0.56) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL1544890 0.84 GSK3B (0.60) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL16395596 0.84 GSK3B (0.56) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL20234504 0.84 GRM5 (0.58) GSK3BGRM5IRAK4KAT6AGPR139
Hydrochloric Acid SCHEMBL2040049 0.84 SMPD1 (0.57) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL31019130 0.84 GSK3B (0.60) GSK3BGRM5IRAK4KAT6AGPR139
SCHEMBL3819152 0.84 GRM5 (0.58) GSK3BGRM5IRAK4KAT6AGPR139

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-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed