SCHEMBL21731428

SCHEMBL21731428

CNc1cccc(Cc2ccc(Cl)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGB1 P05556 6/20 0.42
ITGA5 P08648 6/20 0.42
APP P05067 4/20 0.42
ITGB3 P05106 3/20 0.40
ITGAV P06756 3/20 0.40
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL21731373 0.87 GAA (0.43) KDM4EGAAMAPTL3MBTL1APP
SCHEMBL21682616 0.83 MAPT (0.47) KDM4EGAAMAPTL3MBTL1KMT2A
SCHEMBL7971464 0.82 GAA (0.45) KDM4EGAAMAPTL3MBTL1KMT2A
SCHEMBL21731377 0.82 CYP11B1 (0.41) KDM4EGAAMAPTL3MBTL1ITGB1
SCHEMBL21723209 0.82 KDM4E (0.39) KDM4EGAAMAPTL3MBTL1APP
SCHEMBL21731372 0.81 GAA (0.40) KDM4EGAAMAPTL3MBTL1ITGB1
SCHEMBL21731369 0.79 KMT2A (0.43) GAAKMT2AALDH1A1
SCHEMBL21731410 0.78 GAA (0.41) KDM4EGAAMAPTL3MBTL1KMT2A
SCHEMBL17674597 0.78 GAA (0.41) KDM4EGAAMAPTL3MBTL1KMT2A
SCHEMBL21723173 0.78 GAA (0.41) KDM4EGAAMAPTL3MBTL1KMT2A

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