SCHEMBL6687129

SCHEMBL6687129

O=C1OC(c2ccccc2)=NC12CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PSMB8 P28062 2/20 0.34
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1843106 0.91 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL1839009 0.89 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL13435780 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL1838514 0.81 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL1842314 0.76 ALDH1A1 (0.44) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL3384398 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL1840324 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL1840993 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL1841462 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTKMT2AMEN1
SCHEMBL1839935 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4MAPTKMT2AMEN1

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-2004062361-A2 SPIRO COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-07-29 WO disclosed