SCHEMBL1768181

SCHEMBL1768181

CN(C)c1cccc(P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
NSD2 O96028 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
PDK2 Q15119 1/20 0.38
DRD1 P21728 2/20 0.37
CYP3A4 P08684 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
PTK2B Q14289 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HTR6 P50406 3/20 0.32
PABPC1 P11940 1/20 0.31

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
SCHEMBL17606910 0.95 MAPT (0.50) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL29513054 0.95 MAPT (0.50) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL29444117 0.84 ALDH1A1 (0.41) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL29822698 0.84 ALDH1A1 (0.41) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL229536 0.84 ALDH1A1 (0.41) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL1768448 0.82 CYP3A4 (0.48) TDP1DRD1CYP3A4KDM4EGAA
Bromide SCHEMBL1033291 0.81 ALDH1A1 (0.39) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL1622430 0.80 TDP1 (0.46) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL1033292 0.79 ALDH1A1 (0.37) MAPTTDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL25946762 0.79 MAPT (0.44) MAPTTDP1L3MBTL1ALDH1A1MAPK1

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-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed