SCHEMBL16601969

SCHEMBL16601969

COC(=O)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(C)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 6/20 0.41
MAPT P10636 6/20 0.41
PKM P14618 2/20 0.41
GAA P10253 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ATM Q13315 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTPRC P08575 1/20 0.40
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL9964258 0.82 MAPT (0.51) ALDH1A1MAPTPKMGAACA1
SCHEMBL9963864 0.78 MAPT (0.49) TDP1ALDH1A1MAPTPKMGAA
SCHEMBL26120557 0.77 TDP1 (0.53) TDP1ALDH1A1MAPTCA12CA1
SCHEMBL18725563 0.76 MAPT (0.46) ALDH1A1MAPTPKMGAACA1
SCHEMBL14044710 0.75 MAPT (0.43) ALDH1A1MAPTPKMGAACA1
SCHEMBL69304 0.75 CA1 (0.61) TDP1ALDH1A1MAPTGAACA12
SCHEMBL68289 0.75 CA1 (0.61) TDP1ALDH1A1MAPTGAACA12
SCHEMBL12113903 0.74 MAPT (0.49) ALDH1A1MAPTPKMGAACA1
SCHEMBL16601783 0.74 MAPT (0.51) TDP1ALDH1A1MAPTPKMGAA
SCHEMBL16601966 0.74 MAPT (0.42) ALDH1A1MAPTPKMGAACA1

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
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed