SCHEMBL21709959

SCHEMBL21709959

COc1n[n+]2c(Cc3cnc(Cl)s3)cccc2n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL21710004 0.83 LMNA (0.40) KMT2ALMNARECQLALDH1A1MAPT
SCHEMBL21731417 0.80 MEN1 (0.36) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL21731432 0.77 KMT2A (0.36) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL21710051 0.66 LMNA (0.30) LMNA
SCHEMBL21723112 0.66 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL21723143 0.64 GAA (0.34) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL17410524 0.62 LMNA (0.61) KMT2ALMNARECQLMEN1ALDH1A1
SCHEMBL21731375 0.62 MAPT (0.32) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL5172934 0.57 ALDH1A1 (0.40) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL28983376 0.57 CYP1A2 (0.74) KMT2ALMNAMEN1ALDH1A1MAPT

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