SCHEMBL16601968

SCHEMBL16601968

COCc1ccc(-c2ccc3c(c2)C(=C(C#N)C#N)c2cc(C)ccc2-3)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NAAA Q02083 4/20 0.35
FAAH O00519 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ERN1 O75460 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PDK2 Q15119 1/20 0.32
CHEK1 O14757 1/20 0.32
XDH P47989 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
MGLL Q99685 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
SCHEMBL16601980 0.87 ALKBH3 (0.36) MAPTALDH1A1NAAAFAAHMEN1
SCHEMBL19391241 0.79 MAPT (0.41) MAPTPKMALDH1A1GAAMEN1
SCHEMBL9964258 0.78 MAPT (0.51) MAPTPKMALDH1A1GAAMEN1
SCHEMBL14887301 0.76 MAPT (0.42) MAPTPKMALDH1A1GAAMEN1
SCHEMBL16601784 0.76 MAPT (0.44) MAPTPKMALDH1A1GAAMEN1
SCHEMBL16656339 0.76 MAPT (0.42) MAPTPKMALDH1A1GAAMEN1
SCHEMBL9963864 0.75 MAPT (0.49) MAPTPKMALDH1A1GAAMEN1
SCHEMBL12117687 0.74 PDK2 (0.43) MAPTPKMALDH1A1GAAMEN1
SCHEMBL17448395 0.74 MAPT (0.40) MAPTPKMALDH1A1GAAMEN1
SCHEMBL18725563 0.73 MAPT (0.46) MAPTPKMALDH1A1GAAMEN1

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