SCHEMBL16637828

SCHEMBL16637828

O=c1cccc(Cc2ccc(Cl)nc2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.42
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ APLNR P35414 1/20 0.36

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
SCHEMBL7199908 0.78 GPR84 (0.55) GPR84HTTRAB9A
SCHEMBL28747205 0.72 SMN1; SMN2 (0.53) GPR84
SCHEMBL7784836 0.69 L3MBTL1 (0.55) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL4891078 0.67 CYP3A4 (0.39) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL7971464 0.67 GAA (0.45) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL16638012 0.67 GAA (0.39) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL245979 0.66 ALDH1A1 (0.49) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL451490 0.66 — —
SCHEMBL38665365 0.66 — —
SCHEMBL29442828 0.65 NFE2L2 (0.45) GAAMAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015052103-A1 PESTICIDALLY ACTIVE N-IMINOPYRIDINIUM YLIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 — — WO disclosed
WO-2015052103-A1 PESTICIDALLY ACTIVE N-IMINOPYRIDINIUM YLIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 — — WO disclosed
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