SCHEMBL16638012

SCHEMBL16638012

Nn1c(Cc2ccc(Cl)nc2)cccc1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ IDH1 O75874 2/20 0.36
▸ GRM2 Q14416 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
SCHEMBL16637529 0.82 GAA (0.39) GAAMAPTKDM4EL3MBTL1CHRNA1
SCHEMBL21709955 0.73 IDH1 (0.35) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL17674661 0.72 KMT2A (0.39) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL17674669 0.71 KMT2A (0.36) GAAMAPTKDM4EL3MBTL1CHRNA1
SCHEMBL13721057 0.67 ADRA1A (0.44) —
SCHEMBL16637828 0.67 GPR84 (0.42) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL7784836 0.67 L3MBTL1 (0.55) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL21731433 0.67 KMT2A (0.33) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL7971464 0.65 GAA (0.45) GAAMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL17674597 0.65 GAA (0.41) GAAMAPTKDM4EL3MBTL1CHRNA1

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
WO-2020030754-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 — — WO disclosed
WO-2020030754-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-13 — — WO disclosed
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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