SCHEMBL121591

SCHEMBL121591

Cc1cc(Cl)cc(C(=O)NCCC2CC2)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
MALT1 Q9UDY8 2/20 0.38
BDKRB1 P46663 7/20 0.38
CHRM4 P08173 7/20 0.38

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
SCHEMBL122340 0.93 BDKRB1 (0.39) DHODHBDKRB1CHRM4
SCHEMBL2138302 0.92 P2RX7 (0.41) DHODHMALT1CHRM4
SCHEMBL121349 0.92 BDKRB1 (0.39) DHODHBDKRB1CHRM4
SCHEMBL1533505 0.91 CHRM4 (0.38) DHODHMALT1BDKRB1CHRM4
SCHEMBL31621733 0.90 DHODH (0.42) DHODHMALT1
SCHEMBL2083746 0.90 DHODH (0.42) DHODHMALT1
SCHEMBL4155986 0.87 SMO (0.40) DHODHMALT1
SCHEMBL950846 0.86 DHODH (0.44) DHODHMALT1
SCHEMBL28425563 0.85 DHODH (0.41) DHODHMALT1
SCHEMBL1958511 0.85 BDKRB1 (0.38) DHODHBDKRB1CHRM4

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
EP-2424370-A2 FOAMABLE PESTICIDE COMPOSITIONS BASF Corporation (US) 2012-03-07 EP claimed
EP-2424347-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF Corporation (US) 2012-03-07 EP claimed
WO-2011025789-A2 FOAMABLE PESTICIDE COMPOSITIONS AND METHODS OF APPLICATION BASF CORPORATION (US) 2011-03-03 WO claimed
WO-2011069143-A1 PESTICIDAL BIS-ORGANOSULFUR COMPOUNDS MERIAL LIMITED (US) 2011-06-09 WO disclosed