SCHEMBL6166175

SCHEMBL6166175

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SETD7 Q8WTS6 1/20 0.42
SNCA P37840 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CNR1 P21554 1/20 0.37
PRKCZ Q05513 1/20 0.37
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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 0.90 SMN1; SMN2 (0.53) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6163317 0.90 MAPT (0.56) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6164180 0.89 SMN1; SMN2 (0.48) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6162430 0.89 SMN1; SMN2 (0.60) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6165221 0.87 MAPT (0.48) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6163170 0.86 SMN1; SMN2 (0.52) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6162773 0.85 MAPT (0.48) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6161808 0.84 MAPT (0.49) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6162543 0.84 MAPT (0.47) MAPTMAPK1SMN1; SMN2LMNANPC1
SCHEMBL6164246 0.84 MAPT (0.46) MAPTMAPK1SMN1; SMN2LMNANPC1

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