SCHEMBL6166657

SCHEMBL6166657

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
SNCA P37840 5/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
PGR P06401 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
IDH1 O75874 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL6161520 0.92 SMN1; SMN2 (0.53) MAPTMAPK1SMN1; SMN2SNCANPC1
SCHEMBL6165503 0.88 SNCA (0.44) MAPTMAPK1SMN1; SMN2SNCALMNA
SCHEMBL6163317 0.88 MAPT (0.56) MAPTMAPK1SMN1; SMN2SNCANPC1
SCHEMBL6165873 0.88 MAPT (0.46) MAPTMAPK1SMN1; SMN2SNCANPC1
SCHEMBL6164246 0.88 MAPT (0.46) MAPTMAPK1SMN1; SMN2SNCANPC1
SCHEMBL6203639 0.87 CACNA1F (0.43) MAPTMAPK1SMN1; SMN2SNCANPC1
SCHEMBL6162430 0.87 SMN1; SMN2 (0.60) MAPTMAPK1SMN1; SMN2SNCANPC1
SCHEMBL6164368 0.86 SNCA (0.41) MAPTMAPK1SMN1; SMN2SNCAPGR
SCHEMBL6163170 0.85 SMN1; SMN2 (0.52) MAPTMAPK1SMN1; SMN2SNCANPC1
SCHEMBL6162773 0.84 MAPT (0.48) MAPTMAPK1SMN1; SMN2SNCANPC1

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