SCHEMBL28246727

SCHEMBL28246727

Cc1cccc(Nc2cccnn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NFKB1 P19838 1/20 0.46
EGFR P00533 4/20 0.44
GRM4 Q14833 1/20 0.44
DOT1L Q8TEK3 1/20 0.44
GOT1 P17174 1/20 0.44
TNNI3K Q59H18 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
ERBB2 P04626 1/20 0.43
HTT P42858 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL3951214 0.79 AHR (0.55) NPC1EGFRGRM4DOT1LGOT1
SCHEMBL867461 0.77 MAPT (0.56) MAPTRAB9ANPC1GOT1MEN1
SCHEMBL6837492 0.77 RAB9A (0.63) MAPTRAB9ANPC1RECQLNPSR1
SCHEMBL13348855 0.76 MAPT (0.60) MAPTRAB9ANPC1RECQLNPSR1
SCHEMBL18772775 0.75 TNNI3K (0.59) MAPTRAB9ANPC1RECQLNPSR1
SCHEMBL17666338 0.75 RAPGEF4 (0.49) MAPTRAB9ANPC1NPSR1NFKB1
SCHEMBL1009206 0.74 NPSR1 (0.86) MAPTNPSR1NFKB1EGFRMEN1
SCHEMBL29650380 0.74 NPSR1 (0.86) MAPTNPSR1NFKB1EGFRMEN1
SCHEMBL1387302 0.73 EGFR (0.72) RAB9ANPC1NPSR1EGFRTNNI3K
Water SCHEMBL8601146 0.72 NPSR1 (0.82) MAPTNPSR1NFKB1EGFRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108697084-A The method that Synergistic herbicidal composition and control do not expect plant growth 江苏龙灯化学有限公司 2018-10-23 CN disclosed