SCHEMBL6163952

SCHEMBL6163952

N#Cc1ccc(-c2ccccc2CC(=O)Nc2cccc(C#N)c2)cc1.N#Cc1ccc(NC(=O)Cc2ccccc2-c2cccc(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
DUSP3 P51452 1/20 0.52
KDR P35968 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADRA2C P18825 1/20 0.47
RORC P51449 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
TSHR P16473 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL7108448 0.94 LMNA (0.53) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL7101534 0.94 LMNA (0.63) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL6165957 0.93 LMNA (0.64) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL6167046 0.89 RORC (0.49) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL20941585 0.78 ALDH1A1 (0.77) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL8639463 0.77 CYP1A2 (0.63) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL6164911 0.76 ADRA2C (0.61) LMNAADRA2C
SCHEMBL6166508 0.74 ADRA2C (0.56) LMNAALDH1A1KMT2AMEN1MAPK1
SCHEMBL6165690 0.74 ADRA2C (0.52) MAPTSMN1; SMN2ADRA2C
SCHEMBL29767752 0.73 LMNA (1.00) LMNAALDH1A1KMT2AMAPTMEN1

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