SCHEMBL13845115

SCHEMBL13845115

C#Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
HDAC8 Q9BY41 1/20 0.35
EGLN2 Q96KS0 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
PTPN1 P18031 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
SCHEMBL8412982 0.85 NPC1 (0.38) NPC1RAB9A
SCHEMBL9871231 0.83
SCHEMBL124886 0.83 ABCG2 (0.41) CA12CA1CA2CA9ABCG2
SCHEMBL28259014 0.81 HDAC8 (0.46) KEAP1HDAC8EGLN2HDAC6MAOA
SCHEMBL274972 0.80 APP (0.41) HDAC6MAOAMAOBNPC1RAB9A
SCHEMBL274973 0.79 GRM5 (0.41) NPC1RAB9ACA12CA1CA2
SCHEMBL80044 0.78 NPC1 (0.52) NPC1RAB9A
SCHEMBL8607879 0.76 MEN1 (0.48) NPC1RAB9A
SCHEMBL22129836 0.76 NPC1 (0.41) NPC1RAB9A
SCHEMBL306970 0.76 MEN1 (0.46) KEAP1NPC1RAB9A

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
EP-1344783-B1 Process for producing polymer compounds by elimination reaction FUJIFILM CORP (JP) 2009-05-13 EP disclosed