SCHEMBL12070544

SCHEMBL12070544

C=Nc1ccc(/N=N/c2ccc(C(=O)OCC)cc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
MAPT P10636 4/20 0.52
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.45
GAA P10253 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ESR1 P03372 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ESR2 Q92731 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 3/20 0.44

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
SCHEMBL12071728 0.86 MAPT (0.55) RAB9AMAPTNPC1POLBCASP3
SCHEMBL12069722 0.86 MAPT (0.55) RAB9AMAPTNPC1POLBCASP3
SCHEMBL11888418 0.80 RAB9A (0.67) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL18821735 0.80 RAB9A (0.67) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL1961341 0.80 PPARG (0.53) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL1961343 0.80 PPARG (0.53) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL3080726 0.80 MAPT (0.75) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL3080728 0.80 MAPT (0.75) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL12069809 0.79 RAB9A (0.44) RAB9AMAPTNPC1POLBSMN1; SMN2
SCHEMBL22299944 0.76 MAPT (0.44) RAB9AMAPTNPC1POLBSMN1; SMN2

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
WO-2011157614-A1 BLACK DICHROIC DYE BASF SE (DE) 2011-12-22 WO disclosed