SCHEMBL1853696

SCHEMBL1853696

Cc1cc(Cn2nc(C(F)(F)C(F)(F)F)nc2Br)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
SKP2 Q13309 1/20 0.35
POLB P06746 1/20 0.33
SLC2A1 P11166 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
S100B P04271 1/20 0.31
GAA P10253 1/20 0.30
GFER P55789 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RAD52 P43351 1/20 0.30

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
SCHEMBL2161113 0.89 ADORA3 (0.38) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL2161791 0.88 SKP2 (0.40) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL2161804 0.88 ADORA3 (0.37) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL1833654 0.86 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL1833890 0.85 ADORA3 (0.36) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL1833243 0.84 ADORA3 (0.35) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL2162346 0.84 ADORA3 (0.35) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL1836471 0.84 ADORA3 (0.35) ADORA3ADORA2AADORA2BADORA1SKP2
SCHEMBL1834307 0.83 SMN1; SMN2 (0.44) ADORA3ADORA2AADORA2BADORA1POLB
SCHEMBL2161309 0.83 ADORA3 (0.35) ADORA3ADORA2AADORA2BADORA1SKP2

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
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed