SCHEMBL12438369

SCHEMBL12438369

CNC(=O)c1cc(N)cc(C)c1NC(=O)C1CC(Br)=NN1c1ncccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 13/20 0.40
DHODH Q02127 1/20 0.35
PHGDH O43175 1/20 0.34
GRM4 Q14833 1/20 0.33
P2RX7 Q99572 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL9289054 0.92 MALT1 (0.39) MALT1DHODHPHGDHGRM4
SCHEMBL12575514 0.92 MALT1 (0.41) MALT1PHGDHGRM4P2RX7TRPV1
SCHEMBL1148395 0.92 MALT1 (0.43) MALT1DHODHPHGDHGRM4
SCHEMBL9290241 0.92 MALT1 (0.41) MALT1DHODHPHGDHGRM4TRPV1
SCHEMBL13002825 0.90 MALT1 (0.40) MALT1DHODHPHGDHGRM4TRPV1
SCHEMBL902832 0.89 MALT1 (0.39) MALT1DHODHPHGDHGRM4
SCHEMBL9290200 0.88 MALT1 (0.39) MALT1P2RX7TRPV1
SCHEMBL9289357 0.86 MALT1 (0.39) MALT1DHODHPHGDHTRPV1
SCHEMBL12438703 0.85 MALT1 (0.41) MALT1DHODHGRM4TRPV1
SCHEMBL13287906 0.84 MALT1 (0.40) MALT1GRM4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011095462-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-08-11 WO disclosed
WO-2011067240-A1 SPIRO FUSED 1 -AMINO - PIPERIDINE PYRROLIDINE DIONE DERIVATIVES WITH PESTICIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2011-06-09 WO disclosed
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO disclosed
EP-2213167-A1 Anthranilamide derivatives and their use for the control of insects and acari Syngenta Participations AG (CH) 2010-08-04 EP disclosed
WO-2009090038-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-23 WO disclosed