SCHEMBL2179547

SCHEMBL2179547

CCOC(=O)/C(C#N)=C\c1cccc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
PDCD1 Q15116 1/20 0.71
CD274 Q9NZQ7 1/20 0.71
ALDH1A1 P00352 8/20 0.67
PKM P14618 1/20 0.67
HTT P42858 1/20 0.67
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 4/20 0.65
LMNA P02545 1/20 0.65
MEN1 O00255 3/20 0.65
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
PTP4A1 Q93096 1/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
RXFP1 Q9HBX9 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL2179550 1.00 MAPT (0.71) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL5618042 1.00 MAPT (0.71) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL21457737 0.90 MAPT (0.58) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL21457734 0.90 MAPT (0.58) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL21457724 0.90 MAPT (0.71) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL21457721 0.90 MAPT (0.71) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL10719867 0.89 MAPT (0.82) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL10719869 0.89 MAPT (0.82) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL21457316 0.87 ATM (0.57) MAPTPDCD1CD274ALDH1A1PKM
SCHEMBL21457318 0.87 ATM (0.57) MAPTPDCD1CD274ALDH1A1PKM

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-2011080756-A1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2011-07-07 WO disclosed