SCHEMBL6165871

SCHEMBL6165871

CCOC(=O)c1c(Cc2cccc(C#N)c2)c[nH]c1Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX5 P09917 6/20 0.39
PTGES O14684 5/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
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

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 0.89 MAPT (0.56) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6162430 0.88 SMN1; SMN2 (0.60) MAPTMAPK1SMN1; SMN2KDM4ENPC1
SCHEMBL6161808 0.88 MAPT (0.49) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6161520 0.85 SMN1; SMN2 (0.53) MAPTMAPK1SMN1; SMN2TDP1NPC1
SCHEMBL6163098 0.83 F10 (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6163170 0.82 SMN1; SMN2 (0.52) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6162773 0.81 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6165221 0.81 MAPT (0.48) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6166175 0.80 MAPT (0.47) MAPTMAPK1SMN1; SMN2NPC1LMNA
SCHEMBL6162543 0.80 MAPT (0.47) 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