SCHEMBL21731369

SCHEMBL21731369

CC(C)(C)OC(=O)Nc1cccc(Cc2ccc(Cl)nc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
CCR2 P41597 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP17A1 P05093 1/20 0.40
HDAC1 Q13547 1/20 0.39
MAPKAPK2 P49137 3/20 0.39
SYK P43405 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LCK P06239 1/20 0.38
SCN9A Q15858 1/20 0.37
ATR Q13535 1/20 0.37
CDK9 P50750 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGER1 P34995 1/20 0.37
NAMPT P43490 1/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8307596 0.79 CCR2 (0.44) KMT2ACCR2CYP17A1NPC1RAB9A
SCHEMBL21731428 0.79 KDM4E (0.43) KMT2AALDH1A1GAA
SCHEMBL14076727 0.78 CCR2 (0.41) KMT2ACCR2CYP17A1NPC1RAB9A
SCHEMBL21731373 0.78 GAA (0.43) KMT2AALDH1A1GAA
SCHEMBL465792 0.78 CCR2 (0.42) KMT2ACCR2CYP17A1NPC1RAB9A
SCHEMBL30396325 0.78 CCR2 (0.42) KMT2ACCR2CYP17A1NPC1RAB9A
SCHEMBL4076010 0.78 CHRNB2 (0.51) CCR2CYP17A1MAPKAPK2SYKLCK
SCHEMBL17617912 0.77 SMN1; SMN2 (0.46) CCR2CYP17A1LCKSCN9APTGER1
SCHEMBL21198393 0.76 CCR2 (0.42) KMT2ACCR2CYP17A1MAPKAPK2NPC1
SCHEMBL1022260 0.76 GLS (0.42) KMT2ACCR2CYP17A1NPC1RAB9A

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