SCHEMBL6161520

SCHEMBL6161520

CCOC(=O)c1c(Cc2ccc(C#N)cc2)c[nH]c1Cc1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SNCA P37840 4/20 0.41
SETD7 Q8WTS6 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PGR P06401 1/20 0.38

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
SCHEMBL6163317 0.96 MAPT (0.56) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6162430 0.95 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6164246 0.93 MAPT (0.46) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6165873 0.93 MAPT (0.46) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6163170 0.92 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6166657 0.92 MAPT (0.44) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6162773 0.91 MAPT (0.48) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6165221 0.91 MAPT (0.48) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6161808 0.90 MAPT (0.49) SMN1; SMN2MAPTMAPK1LMNANPC1
SCHEMBL6162543 0.90 MAPT (0.47) SMN1; SMN2MAPTMAPK1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed