SCHEMBL7701823

SCHEMBL7701823

COc1c(C=C2N(C)c3ccccc3C2(C)C)c(=O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.52
HTT P42858 6/20 0.52
MAPT P10636 12/20 0.50
ALDH1A1 P00352 5/20 0.50
GAA P10253 4/20 0.50
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
USP2 O75604 3/20 0.48
KDM4E B2RXH2 7/20 0.47
MAPK1 P28482 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GPR55 Q9Y2T6 1/20 0.47
THRB P10828 3/20 0.47
RECQL P46063 3/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CASP1 P29466 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7701821 1.00 LMNA (0.52) LMNAHTTMAPTALDH1A1GAA
SCHEMBL5515255 0.83 MAPT (0.48) LMNAHTTMAPTALDH1A1GAA
SCHEMBL19815786 0.83 MAPT (0.48) LMNAHTTMAPTALDH1A1GAA
SCHEMBL3853022 0.81 LMNA (0.55) LMNAHTTMAPTALDH1A1GAA
SCHEMBL3853014 0.81 LMNA (0.55) LMNAHTTMAPTALDH1A1GAA
SCHEMBL14093786 0.81 LMNA (0.55) LMNAHTTMAPTALDH1A1GAA
SCHEMBL17627872 0.80 LMNA (0.54) LMNAHTTMAPTALDH1A1GAA
SCHEMBL14093787 0.76 MAPT (0.51) LMNAHTTMAPTALDH1A1GAA
SCHEMBL3468060 0.74 MAPT (0.45) LMNAHTTMAPTALDH1A1GAA
SCHEMBL3468065 0.74 MAPT (0.45) LMNAHTTMAPTALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165693-A2 SQUARAINE DYES Amersham Pharmacia Biotech UK Limited (GB) 2002-01-02 EP disclosed
WO-2000058405-A2 SQUARAINE DYES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-05 WO disclosed