SCHEMBL3577122

SCHEMBL3577122

CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(F)cc1)Cc1ccc(OC(F)(F)F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.42
SCN3A Q9NY46 1/20 0.36
CCR3 P51677 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F7 P08709 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
RORC P51449 3/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN9A Q15858 1/20 0.34
SLC2A1 P11166 1/20 0.34
C5AR1 P21730 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
SCHEMBL3574675 0.91 NLRP3 (0.42) NLRP3SCN3ACCR3F2F10
SCHEMBL3582286 0.91 NLRP3 (0.41) NLRP3SCN3ACCR3F2F10
SCHEMBL3576208 0.89 NLRP3 (0.42) NLRP3LPAR1LPAR2SLC2A1C5AR1
SCHEMBL3579102 0.84 LPAR1 (0.41) NLRP3LPAR1LPAR2C5AR1
SCHEMBL3581435 0.82 TP53 (0.41) NLRP3F2F10F7LPAR1
SCHEMBL27750952 0.82 NLRP3 (0.40) NLRP3SCN3ACCR3F2F10
SCHEMBL3569645 0.80 CCR9 (0.43) NLRP3LPAR1LPAR2SLC2A1C5AR1
SCHEMBL3581908 0.80 NLRP3 (0.41) NLRP3LPAR1LPAR2SLC2A1C5AR1
SCHEMBL3569879 0.79 POLB (0.46) NLRP3F10LPAR1LPAR2
SCHEMBL3580041 0.79 LPAR1 (0.41) NLRP3LPAR1LPAR2SLC2A1C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed