SCHEMBL8046096

SCHEMBL8046096

CC(O)CNc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
NCOR2 Q9Y618 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 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
SCHEMBL28876712 0.86 IDO1 (0.44) MAPTALDH1A1CYP1A2CYP2D6KDM4E
SCHEMBL29922600 0.84 IDO1 (0.49) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL3650531 0.84 IDO1 (0.49) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL21799867 0.81 MAPT (0.39) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL29922400 0.81 MAPT (0.39) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL21799823 0.79 MAPT (0.38) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL17006480 0.78 HTT (0.57) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL21799996 0.77 MAPT (0.39) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL29922652 0.77 MAPT (0.39) MAPTHDAC3HDAC1HDAC2NCOR2
SCHEMBL21800072 0.77 HDAC3 (0.39) MAPTHDAC3HDAC1HDAC2NCOR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663446-B1 Electrochemical assay method and novel p-phenylenediamine compound MOCHIDA PHARM CO LTD (JP) 2000-03-22 EP disclosed
US-5609749-A FUNCTIONS AS ELECTRON MEDIATOR, MODULATION OF OXIDATION-REDUCTION ENZYME ACTIVITY IS MEASURED, IMMUNOASSAY MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-03-11 US disclosed
EP-0195363-B1 HAIR-DYEING COMPOSITION Henkel Kommanditgesellschaft auf Aktien (DE) 1990-10-31 EP disclosed