SCHEMBL19417331

SCHEMBL19417331

CCOC(=O)C1Cc2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 2/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.43
HTR2A P28223 1/20 0.43
NR1D1 P20393 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41

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
SCHEMBL19417310 0.86 KMT2A (0.51) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL19417360 0.86 ALDH1A1 (0.51) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL17386339 0.84 ALDH1A1 (0.50) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL31460799 0.84 MAPT (0.70) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL490810 0.84 MAPT (0.70) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL7950190 0.78 MEN1 (0.58) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL5897623 0.78 MEN1 (0.48) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL1419881 0.76 CYP1A2 (0.55) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4720088 0.76 PIN1 (0.52) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL12988055 0.75 P2RX7 (0.43) MAPTKDM4EMEN1ALDH1A1GAA

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
EP-3225610-A1 METHOD FOR MANUFACTURING COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-10-04 EP disclosed