SCHEMBL587369

SCHEMBL587369

CC(=O)CC(=O)Nc1ccccc1.[NaH]

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.82
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
NAPRT Q6XQN6 1/20 0.59
HSD17B10 Q99714 1/20 0.59
EPHX2 P34913 1/20 0.57
KDM1A O60341 1/20 0.56
GAA P10253 1/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA7 P43166 1/20 0.56

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
SCHEMBL9121361 0.98 MAPT (0.85) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL14914 0.98 MAPT (0.85) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL28996270 0.96 MAPT (0.82) MAPTALDH1A1KDM4EMEN1CYP1A2
Methane SCHEMBL28009609 0.96 MAPT (0.82) MAPTALDH1A1KDM4EMEN1CYP1A2
Bromide SCHEMBL27974437 0.96 MAPT (0.82) MAPTALDH1A1KDM4EMEN1CYP1A2
Potassium SCHEMBL30309050 0.96 MAPT (0.82) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8849064 0.96 MAPT (0.82) MAPTALDH1A1KDM4EMEN1CYP1A2
Hydrochloric Acid SCHEMBL28406796 0.96 MAPT (0.82) MAPTALDH1A1KDM4EMEN1CYP1A2
Water SCHEMBL28419344 0.94 MAPT (0.79) MAPTALDH1A1KDM4EMEN1CYP1A2
SCHEMBL11216876 0.94 MAPT (0.79) MAPTALDH1A1KDM4EMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417203-B1 INKJET INK COMPOSITIONS COMPRISING AZO PIGMENTS CABOT CORP (US) 2017-01-18 EP disclosed
CN-102459477-A Inkjet ink compositions comprising azo pigments CABOT CORP 2012-05-16 CN disclosed
EP-2417203-A1 INKJET INK COMPOSITIONS COMPRISING AZO PIGMENTS Cabot Corporation (US) 2012-02-15 EP disclosed
US-8048213-B2 Inkjet ink compositions comprising azo pigments CABOT CORPORATION (US) 2011-11-01 US disclosed
WO-2010117399-A1 INKJET INK COMPOSITIONS COMPRISING AZO PIGMENTS CABOT CORPORATION (US) 2010-10-14 WO disclosed
US-20100251930-A1 Inkjet ink compositions comprising azo pigments CABOT CORPORATION 2010-10-07 US disclosed