SCHEMBL21731377

SCHEMBL21731377

Clc1ccc(Cc2cccc(NC3CC3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CCNT1 O60563 10/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA5 P08648 1/20 0.38
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
PDGFRB P09619 1/20 0.35
FLT3 P36888 1/20 0.35
CDK7 P50613 1/20 0.35
BLK P51451 1/20 0.35
IRAK1 P51617 1/20 0.35
CCNH P51946 1/20 0.35

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
SCHEMBL21731428 0.82 KDM4E (0.43) KDM4EGAAMAPTL3MBTL1ITGB1
SCHEMBL21731373 0.78 GAA (0.43) KDM4EGAAMAPTL3MBTL1
SCHEMBL21682616 0.77 MAPT (0.47) KDM4EGAAMAPTL3MBTL1KDM1A
SCHEMBL7971464 0.77 GAA (0.45) KDM4EGAAMAPTL3MBTL1
SCHEMBL21731372 0.75 GAA (0.40) KDM4EGAAMAPTL3MBTL1KDM1A
SCHEMBL21723209 0.73 KDM4E (0.39) KDM4EGAAMAPTL3MBTL1
SCHEMBL21723173 0.73 GAA (0.41) KDM4EGAAMAPTL3MBTL1
SCHEMBL21731410 0.73 GAA (0.41) KDM4EGAAMAPTL3MBTL1
SCHEMBL17674597 0.73 GAA (0.41) KDM4EGAAMAPTL3MBTL1
SCHEMBL21731414 0.72 KDM4E (0.41) KDM4EGAAMAPTL3MBTL1

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