SCHEMBL8237704

SCHEMBL8237704

COC(=O)Cc1ccc(OC)c(NC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
GFER P55789 1/20 0.48
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
FEN1 P39748 1/20 0.45
EPHX2 P34913 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GABRA1 P14867 1/20 0.44

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
SCHEMBL6289649 0.89 KMT2A (0.51) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL5317776 0.88 GAA (0.60) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL27649299 0.88 HSD17B1 (0.51) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL12720583 0.87 KMT2A (0.64) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL13754305 0.84 KMT2A (0.50) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL20864387 0.83 KMT2A (0.51) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7274262 0.81 KDM4E (0.57) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL10782691 0.81 MAPT (0.52) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL7417255 0.81 CYP1A2 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL198282 0.80 ALDH1A1 (0.62) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1

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-2007082666-A1 ACYLAMINOIMIDAZOLES BAYER HEALTHCARE AG (DE) 2007-07-26 WO disclosed