SCHEMBL28330822

SCHEMBL28330822

CN(C)c1ccccc1C1=Cc2cccc3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 7/20 0.41
MAPK1 P28482 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NSD2 O96028 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 4/20 0.36
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.36
PDK2 Q15119 1/20 0.35
MCL1 Q07820 2/20 0.34
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 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
SCHEMBL28962436 0.78 MAPK1 (0.55) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL28071724 0.77 MAPK1 (0.53) MAPTKDM4EGAAALDH1A1MAPK1
SCHEMBL28330820 0.75 PTPN1 (0.56) MAPTKDM4EGAAALDH1A1MAPK1
SCHEMBL8883107 0.74 MAPK1 (0.44) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL8886599 0.74 MAPK1 (0.49) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL28329591 0.73 MAPK1 (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL28329589 0.73 PTGS2 (0.47) MAPTKDM4EGAAALDH1A1MAPK1
SCHEMBL4560752 0.73 MAPK1 (0.52) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL29236914 0.70 MEN1 (0.49) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL28878383 0.70 DPP4 (0.43) MAPTKDM4EALDH1A1MAPK1MEN1

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
CN-110483571-A (1- (substituted-phenyl) acenaphthylene base)-two (3,5- bis- (trifluoromethyl)) phenyl phosphine compound and preparation method thereof UNIV SCIENCE & TECHNOLOGY CHINA 2019-11-22 CN disclosed