SCHEMBL6162430

SCHEMBL6162430

CCOC(=O)c1c(Cc2ccccc2)c[nH]c1Cc1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 2/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
ALOX5 P09917 7/20 0.41
PTGES O14684 4/20 0.41
SETD7 Q8WTS6 1/20 0.41
POLB P06746 1/20 0.40
SNCA P37840 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 0.97 MAPT (0.56) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6161520 0.95 SMN1; SMN2 (0.53) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6163170 0.93 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6161808 0.91 MAPT (0.49) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6162773 0.90 MAPT (0.48) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6165221 0.90 MAPT (0.48) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6166175 0.89 MAPT (0.47) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6162543 0.89 MAPT (0.47) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6164180 0.89 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMAPK1NPC1LMNA
SCHEMBL6164246 0.88 MAPT (0.46) SMN1; SMN2MAPTMAPK1NPC1LMNA

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