SCHEMBL16601783

SCHEMBL16601783

N#CC(C#N)=C1c2cc(C(=O)O)ccc2-c2ccc(C(=O)O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
PKM P14618 2/20 0.51
GAA P10253 2/20 0.51
PTPRC P08575 2/20 0.49
TTR P02766 2/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 3/20 0.42
SRD5A2 P31213 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
PTGS2 P35354 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 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
Hydrochloric Acid SCHEMBL11727911 0.98 MAPT (0.50) MAPTALDH1A1PKMGAAPTPRC
SCHEMBL11727898 0.84 MAPT (0.50) MAPTALDH1A1PKMGAAPTPRC
SCHEMBL11727904 0.81 TTR (0.43) MAPTALDH1A1PKMGAAPTPRC
SCHEMBL21371160 0.80 ATM (0.46) MAPTALDH1A1PKMGAAPTPRC
SCHEMBL16602042 0.79 KMO (0.51) MAPTALDH1A1PKMGAAPTPRC
SCHEMBL7050742 0.77 SRD5A2 (0.42) MAPTALDH1A1GAAPTPRCTTR
SCHEMBL68062 0.77 PTPRC (0.72) MAPTGAAPTPRCTTRKMT2A
SCHEMBL69805 0.77 PTPRC (0.72) MAPTGAAPTPRCTTRKMT2A
SCHEMBL21371165 0.76 MAPT (0.43) MAPTALDH1A1PKMGAAPTPRC
Hydrochloric Acid SCHEMBL6925907 0.75 PTPRC (0.69) MAPTGAAPTPRCTTRKMT2A

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