SCHEMBL6742425

SCHEMBL6742425

CCCNC(=O)c1nc(C)ccc1C(=O)Nc1c(Cl)ccc(C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
RECQL P46063 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
PTGS2 P35354 4/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7680123 0.92 THRB (0.38) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL6949924 0.85 CCNE1 (0.35) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL7682613 0.85 PDE4D (0.44) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL6735881 0.84 POLB (0.38) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL7680208 0.82 PDE4A (0.38) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL7685867 0.80 PDE4B (0.36) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL7683047 0.80 PDE4A (0.38) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL7679361 0.79 PDE4B (0.38) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL7676323 0.78 PDE4A (0.39) THRBRECQLPOLBTDP1L3MBTL1
SCHEMBL7676345 0.77 ALDH1A1 (0.38) ALDH1A1MAPK14CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683213-B1 CHEMICAL INTERMEDIATES FOR PYRIDINEDICARBOXAMIDE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed