SCHEMBL20727068

SCHEMBL20727068

COC(=O)c1nc(-c2ccc(I)c(F)c2)nc(N)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.39
▸ CGAS Q8N884 1/20 0.37
▸ KDM4E B2RXH2 8/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PKM P14618 3/20 0.36
▸ RCE1 Q9Y256 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34

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
SCHEMBL16035507 0.87 KDM4E (0.37) ERN1CGASKDM4EALDH1A1SMN1; SMN2
SCHEMBL29556596 0.87 KDM4E (0.37) ERN1CGASKDM4EALDH1A1SMN1; SMN2
SCHEMBL20727054 0.82 CGAS (0.38) ERN1CGASKDM4EALDH1A1SMN1; SMN2
SCHEMBL20727098 0.80 RAB9A (0.45) KDM4EALDH1A1SMN1; SMN2RAB9APKM
SCHEMBL16035711 0.79 NEK2 (0.40) ABCB1ABCC1
SCHEMBL29556583 0.79 NEK2 (0.40) ABCB1ABCC1
SCHEMBL20727082 0.77 ERCC1 (0.53) KDM4EALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL719542 0.74 ERN1 (0.39) ERN1KDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL16075374 0.74 SLC6A3 (0.43) KDM4EALDH1A1SMN1; SMN2RAB9APKM
SCHEMBL16075461 0.73 KDM4E (0.40) CGASKDM4EALDH1A1SMN1; SMN2RAB9A

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-3440938-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2019-02-13 — — EP disclosed
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