SCHEMBL21731433

SCHEMBL21731433

Nn1c(Cc2cnc(Cl)s2)ccc/c1=N\Cc1ccc(Cl)nc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRNA7 P36544 2/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALOX12 P18054 1/20 0.30

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
SCHEMBL21731424 0.78 ALDH1A1 (0.33) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL21709958 0.75 ALDH1A1 (0.39) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL21682612 0.75 ALDH1A1 (0.39) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL21682614 0.75 ALDH1A1 (0.39) KMT2ALMNAALDH1A1L3MBTL1KDM4E
SCHEMBL16637529 0.67 GAA (0.39) KMT2ALMNACHRNA7CHRNA1GAA
SCHEMBL16638012 0.67 GAA (0.39) KMT2AALDH1A1CHRNA7CHRNA1GAA
SCHEMBL21723181 0.62 KDM4E (0.47) KMT2ALMNAALDH1A1CHRNA7CHRNA1
SCHEMBL21723143 0.60 GAA (0.34) KMT2ALMNAALDH1A1CHRNA7CHRNA1
SCHEMBL6326228 0.60 LMNA (0.46) KMT2ALMNACHRNA7CHRNA1GAA
SCHEMBL6326230 0.60 LMNA (0.46) KMT2ALMNACHRNA7CHRNA1GAA

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