SCHEMBL10000171

SCHEMBL10000171

Cc1nnc(Br)c(-c2ncc(Cl)cc2Cl)c1-c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.34
BRAF P15056 2/20 0.34
KDR P35968 2/20 0.34
CNR2 P34972 1/20 0.34
RIPK2 O43353 1/20 0.34
EGFR P00533 1/20 0.34
TNK2 Q07912 1/20 0.34
PTK6 Q13882 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
RAB9A P51151 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK13 O15264 1/20 0.33
GCGR P47871 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
SCHEMBL10000192 0.91 CNR2 (0.37) SRCBRAFKDRCNR2RIPK2
SCHEMBL10000738 0.87 CNR2 (0.35) SRCBRAFKDRCNR2RIPK2
SCHEMBL10019353 0.83 MEN1 (0.36) SRCBRAFKDRCNR2RIPK2
SCHEMBL10019182 0.78 AR (0.34) SRCBRAFKDRRIPK2EGFR
SCHEMBL896318 0.78 CNR2 (0.37) CNR2RAB9APTGS1PTGS2NPC1
SCHEMBL10000169 0.76 TYMP (0.38) KDRPTGS1PTGS2TP53MEN1
SCHEMBL10000761 0.74 MAOB (0.40) CNR2PTGS1PTGS2SMN1; SMN2KDM4E
SCHEMBL3604528 0.72 CNR2 (0.38) KDRCNR2RAB9APTGS1PTGS2
SCHEMBL3609800 0.72 PTGS2 (0.43) CNR2PTGS1PTGS2MAPK14CRHR1
SCHEMBL896631 0.71 PTGS2 (0.36) RAB9APTGS1PTGS2KDM4EMEN1

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
WO-2012020777-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed
WO-2012020775-A1 PLANT DISEASE CONTROL COMPOSITION AND APPLICATION FOR SAME 住友化学株式会社 (JP) 2012-02-16 WO disclosed