SCHEMBL21731432

SCHEMBL21731432

COc1n[n+]2c(Cc3cnc(Cl)s3)cccc2n1Cc1ccc(Cl)nc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRNA1 P02708 2/20 0.32
▸ CHRNA7 P36544 2/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ AR P10275 1/20 0.31
▸ GRM2 Q14416 1/20 0.31

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
SCHEMBL21723143 0.86 GAA (0.34) KMT2AL3MBTL1TDP1MEN1GAA
SCHEMBL21731417 0.81 MEN1 (0.36) KMT2AL3MBTL1TDP1MEN1MAPT
SCHEMBL21731375 0.78 MAPT (0.32) KMT2AL3MBTL1MEN1GAAMAPT
SCHEMBL21709959 0.77 KMT2A (0.38) KMT2AL3MBTL1TDP1MEN1GAA
SCHEMBL21731423 0.75 GAA (0.34) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL21710051 0.71 LMNA (0.30) LMNA
SCHEMBL21723112 0.68 ALDH1A1 (0.31) L3MBTL1ALDH1A1
SCHEMBL21710004 0.65 LMNA (0.40) KMT2AGAAMAPTLMNAALDH1A1
SCHEMBL21723151 0.65 GAA (0.31) L3MBTL1GAAMAPT
SCHEMBL25188413 0.58 KMT2A (0.41) KMT2AL3MBTL1TDP1MEN1GAA

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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