SCHEMBL6165873

SCHEMBL6165873

CCOC(=O)COC(=O)c1c(Cc2cccc(C#N)c2)c[nH]c1Cc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
SNCA P37840 4/20 0.39
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SETD7 Q8WTS6 1/20 0.35
PGR P06401 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.35
POLB P06746 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRB2 P47870 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
SCHEMBL6164246 1.00 MAPT (0.46) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6161520 0.93 SMN1; SMN2 (0.53) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6163317 0.89 MAPT (0.56) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6162430 0.88 SMN1; SMN2 (0.60) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6166657 0.88 MAPT (0.44) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6163170 0.86 SMN1; SMN2 (0.52) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6165503 0.85 SNCA (0.44) MAPTMAPK1SMN1; SMN2LMNARAB9A
SCHEMBL6162773 0.85 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6165221 0.85 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6203639 0.85 CACNA1F (0.43) 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