SCHEMBL21740004

SCHEMBL21740004

CCOC(=O)/C(C)=N/Nc1ccccc1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.56
DHODH Q02127 1/20 0.55
ALDH1A1 P00352 5/20 0.50
LMNA P02545 5/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.46
ATM Q13315 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.44
GPR35 Q9HC97 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4040139 0.86 GPR35 (0.52) GAADHODHALDH1A1LMNAMAPT
SCHEMBL4040130 0.86 GPR35 (0.52) GAADHODHALDH1A1LMNAMAPT
SCHEMBL4040135 0.86 GPR35 (0.52) GAADHODHALDH1A1LMNAMAPT
SCHEMBL5361515 0.86 GAA (0.46) GAADHODHALDH1A1LMNAMAPT
SCHEMBL5361513 0.86 GAA (0.46) GAADHODHALDH1A1LMNAMAPT
SCHEMBL7943758 0.85 GAA (0.62) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL7877752 0.85 GAA (0.62) GAAALDH1A1LMNAMAPTKDM4E
SCHEMBL20794418 0.85 GAA (0.56) GAADHODHALDH1A1LMNAMAPT
SCHEMBL14019452 0.85 GAA (0.56) GAADHODHALDH1A1LMNAMAPT
SCHEMBL11770571 0.85 GAA (0.56) GAADHODHALDH1A1LMNAMAPT

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-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 WO disclosed