SCHEMBL6994496

SCHEMBL6994496

CSc1ccccc1CNCC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.57
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 6/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.39
HPGD P15428 4/20 0.37
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1279560 0.84 CHRM2 (0.54) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL5969220 0.79 LMNA (0.55) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL14476995 0.78 CHRM2 (0.79) CHRM2LMNAKMT2AMEN1KDM4E
SCHEMBL10282552 0.77 CHRM2 (0.66) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL3136680 0.77 LMNA (0.48) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL5162780 0.76 LMNA (0.59) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL13402070 0.74 LMNA (0.47) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL8697987 0.74 ALDH1A1 (0.51) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL513576 0.74 CHRM2 (0.57) CHRM2LMNAMAPTALDH1A1L3MBTL1
SCHEMBL12851943 0.73 KDM4E (0.57) CHRM2LMNAALDH1A1KMT2AMEN1

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-2012065057-A2 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. (US) 2012-05-18 WO disclosed