SCHEMBL28044007

SCHEMBL28044007

O=CC(CNc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DNM1 Q05193 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
POLB P06746 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NR3C1 P04150 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
SCHEMBL28095288 0.88 MAPT (0.43) MAPTDNM1ALDH1A1HTTSMN1; SMN2
SCHEMBL28292762 0.78 TAAR1 (0.52) KDM4EL3MBTL1KMT2A
SCHEMBL11604193 0.78 POLB (0.42) ADRB2MAPTKDM4EALDH1A1HTT
SCHEMBL1936242 0.76 BCAT2 (0.43) KDM4EL3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL28053814 0.74 CYP2D6 (0.42) KDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL2308839 0.74 MAPT (0.52) ADRB2MAPTKDM4EL3MBTL1DNM1
SCHEMBL10627463 0.74 CYP2D6 (0.42) KDM4EL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL10402855 0.74 MAPT (0.49) ADRB2MAPTKDM4EL3MBTL1DNM1
SCHEMBL2001329 0.71 CYP2D6 (0.39) KDM4EL3MBTL1ALDH1A1LMNAKMT2A
SCHEMBL10584869 0.71 CYP2D6 (0.39) KDM4EL3MBTL1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143281-B Tridentate nitrogen-based ligands for olefin polymerization catalysts 尤尼威蒂恩技术有限责任公司 2018-06-01 CN disclosed
CN-105143281-A Tridentate nitrogen-based ligands for olefin polymerization catalysts UNIVATION TECH LLC 2015-12-09 CN disclosed