SCHEMBL6161808

SCHEMBL6161808

CCOC(=O)c1c(Cc2cccc(C#N)c2)c[nH]c1Cc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX5 P09917 6/20 0.39
PTGES O14684 4/20 0.39
POLB P06746 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SNCA P37840 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRB2 P47870 1/20 0.37
PIN1 Q13526 1/20 0.37

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 0.92 MAPT (0.56) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6162430 0.91 SMN1; SMN2 (0.60) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6161520 0.90 SMN1; SMN2 (0.53) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6165871 0.88 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6163170 0.87 SMN1; SMN2 (0.52) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6162773 0.86 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6165221 0.86 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6162543 0.84 MAPT (0.47) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6166175 0.84 MAPT (0.47) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6164246 0.84 MAPT (0.46) MAPTMAPK1SMN1; SMN2NPC1LMNA

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