SCHEMBL16637529

SCHEMBL16637529

Nn1c(Cc2ccc(Cl)nc2)cccc1=S

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ 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
▸ GRM2 Q14416 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL16638012 0.82 GAA (0.39) GAAMAPTL3MBTL1KDM4ECHRNA1
SCHEMBL17674661 0.70 KMT2A (0.39) GAAMAPTL3MBTL1KDM4EKMT2A
SCHEMBL7784836 0.67 L3MBTL1 (0.55) GAAMAPTL3MBTL1KDM4EKMT2A
SCHEMBL21731433 0.67 KMT2A (0.33) GAAMAPTL3MBTL1KDM4ECHRNA1
SCHEMBL17674669 0.66 KMT2A (0.36) GAAMAPTL3MBTL1KDM4ECHRNA1
SCHEMBL7971464 0.65 GAA (0.45) GAAMAPTL3MBTL1KDM4ECHRNA1
SCHEMBL17674597 0.65 GAA (0.41) GAAMAPTL3MBTL1KDM4ECHRNA1
SCHEMBL137992 0.64 — —
SCHEMBL453213 0.64 — —
SCHEMBL17674580 0.63 GAA (0.40) GAAMAPTL3MBTL1KDM4ECHRNA1

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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