SCHEMBL23769123

SCHEMBL23769123

NC(=O)c1ccc(-c2cccc(N=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 5/20 0.51
▸ MKNK2 Q9HBH9 4/20 0.51
▸ DHODH Q02127 3/20 0.46
▸ AOC3 Q16853 2/20 0.46
▸ MYC P01106 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CAMKK2 Q96RR4 1/20 0.44
▸ CHEK2 O96017 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ SYK P43405 1/20 0.42

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
SCHEMBL22367342 0.81 MKNK1 (0.64) MKNK1MKNK2DHODHAOC3ERN1
SCHEMBL2589651 0.80 ERN1 (0.60) MKNK1MKNK2DHODHERN1
SCHEMBL1565391 0.80 PARP1 (0.55) —
SCHEMBL29551821 0.80 PARP1 (0.55) —
SCHEMBL13412869 0.78 NR4A2 (0.36) MKNK1MKNK2DHODHAOC3ERN1
SCHEMBL13179896 0.77 MAOA (0.44) —
SCHEMBL1788682 0.77 HSD17B1 (0.65) MKNK1MKNK2DHODHERN1
SCHEMBL3790217 0.77 MAOA (0.57) MKNK1MKNK2DHODHAOC3ERN1
SCHEMBL30958373 0.77 HSD17B1 (0.65) MKNK1MKNK2DHODHERN1
SCHEMBL15547657 0.75 CHEK2 (0.67) MKNK1MKNK2DHODHMAP4K4CHEK2

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-3865472-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA Therapeutics Limited (IE) 2021-08-18 — — EP disclosed
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