SCHEMBL21723181

SCHEMBL21723181

Clc1ccc(CNc2cccc(Cc3cnc(Cl)s3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DYRK1A Q13627 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ TRPM5 Q9NZQ8 1/20 0.33

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
SCHEMBL12675581 0.78 GAA (0.61) KDM4EGAAMAPTL3MBTL1DYRK1A
SCHEMBL21731427 0.77 APP (0.34) KDM4EL3MBTL1ALDH1A1CYP2C19LMNA
SCHEMBL21731373 0.75 GAA (0.43) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL7970286 0.74 KMT2A (0.43) KDM4EMAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL12675380 0.74 KDM4E (0.56) KDM4EGAAMAPTL3MBTL1DYRK1A
SCHEMBL21731414 0.74 KDM4E (0.41) KDM4EGAAMAPTL3MBTL1DYRK1A
SCHEMBL21682617 0.74 MAPT (0.47) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL21731428 0.72 KDM4E (0.43) KDM4EGAAMAPTL3MBTL1ALDH1A1
SCHEMBL21731372 0.72 GAA (0.40) KDM4EGAAMAPTL3MBTL1DYRK1A
SCHEMBL21723209 0.70 KDM4E (0.39) KDM4EGAAMAPTL3MBTL1ALDH1A1

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-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 — — WO disclosed
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 — — WO disclosed
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