SCHEMBL6165876

SCHEMBL6165876

CCOC(=O)COC(=O)c1cn(Cc2ccc(C#N)cc2)cc1Cc1cccc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
ELANE P08246 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KLKB1 P03952 1/20 0.37
KLK1 P06870 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
IDH1 O75874 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
PDE3B Q13370 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
SCHEMBL6164249 0.96 POLB (0.40) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL6170882 0.93 MAPT (0.45) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL6163869 0.89 POLB (0.45) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL6163207 0.88 TSHR (0.46) TSHRLMNAPOLBELANERXFP1
SCHEMBL7105719 0.88 POLB (0.47) TSHRSMN1; SMN2POLBELANERXFP1
SCHEMBL6166642 0.87 KLKB1 (0.42) MAPTTDP1TSHRSMN1; SMN2LMNA
SCHEMBL7106877 0.86 PDE3B (0.42) TDP1TSHRSMN1; SMN2POLBELANE
SCHEMBL7106232 0.85 CYP11B1 (0.43) LMNAKLKB1KLK1IDH1GRIA2
SCHEMBL7108857 0.84 POLB (0.46) TSHRSMN1; SMN2POLBELANERXFP1
SCHEMBL6163697 0.84 TSHR (0.45) MAPTTDP1TSHRSMN1; SMN2LMNA

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