SCHEMBL6166501

SCHEMBL6166501

CCOC(=O)c1cn(Cc2ccc(C#N)cc2)cc1Cc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ELANE P08246 2/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
HTT P42858 1/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 2/20 0.39
CYP2A6 P11509 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6163697 0.96 TSHR (0.45) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL6164731 0.96 TSHR (0.45) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL6163869 0.90 POLB (0.45) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL6170882 0.90 MAPT (0.45) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL7101820 0.88 PTGS1 (0.44) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL7106357 0.86 SMN1; SMN2 (0.41) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL7108855 0.86 PDE5A (0.43) MAPTTDP1LMNATSHRSMN1; SMN2
SCHEMBL6163207 0.85 TSHR (0.46) LMNATSHRELANEPDE3BPDE3A
SCHEMBL7108857 0.85 POLB (0.46) TSHRSMN1; SMN2ELANECYP11B1CYP11B2
SCHEMBL7105719 0.84 POLB (0.47) TSHRSMN1; SMN2ELANECYP11B1CYP11B2

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