SCHEMBL22946326

SCHEMBL22946326

CNc1c(C2CC2)nn(C)c1OCC(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR1 P21554 2/20 0.35
MCHR1 Q99705 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL22946156 0.85 KMT2A (0.43) KMT2ALMNAHTTMEN1NPC1
SCHEMBL22946202 0.76 L3MBTL1 (0.41) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL22945858 0.75 KMT2A (0.33) KMT2ALMNAHTTMEN1NPC1
SCHEMBL22946167 0.74 TSHR (0.41) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL22946162 0.73 MAPT (0.47) KMT2ALMNAHTTMEN1NPC1
SCHEMBL23061289 0.72 CNR1 (0.33) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL30253544 0.70 ATF4 (0.42) RAB9ASMN1; SMN2MAPTL3MBTL1KDM4E
SCHEMBL22945860 0.68 HCRTR1 (0.33) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL22946158 0.68 KMT2A (0.48) KMT2ALMNAHTTMEN1NPC1
SCHEMBL22945856 0.67 TSHR (0.32) KMT2AMEN1NPC1RAB9AMAPT

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-2021018135-A1 HETEROCYCLYL ALKYL SUBSTITUTED DICHLOROBENZOYL COMPOUNDS AND APPLICATIONS THEREOF 东莞市东阳光农药研发有限公司 2021-02-04 WO disclosed