SCHEMBL7044085

SCHEMBL7044085

CC(=O)Nc1ccc(N)cc1.CSc1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPK1 P28482 1/20 0.60
PKM P14618 2/20 0.60
CYP2C19 P33261 2/20 0.60
PTGS2 P35354 1/20 0.59
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.50
NOX1 Q9Y5S8 1/20 0.50

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
SCHEMBL3074944 0.91 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AMAPK1CYP2C19
SCHEMBL18653824 0.87 PKM (0.62) ALDH1A1MEN1KMT2AMAPK1PKM
SCHEMBL92049 0.87 PKM (0.75) ALDH1A1MEN1KMT2APKMCYP2C19
SCHEMBL7044090 0.85 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPK1CYP2C19
SCHEMBL10217893 0.85 NOX1 (0.67) ALDH1A1MEN1KMT2AMAPK1CYP2C19
Hydrochloric Acid SCHEMBL4819296 0.85 PKM (0.72) ALDH1A1MEN1KMT2APKMCYP2C19
SCHEMBL8976515 0.84 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPK1PKM
Sulfur Dioxide SCHEMBL29118272 0.83 PKM (0.66) ALDH1A1MEN1KMT2APKMCYP2C19
Bicarbonate SCHEMBL11481005 0.83 PKM (0.70) ALDH1A1MEN1KMT2APKMCYP2C19
Nitrogen SCHEMBL28864896 0.83 PKM (0.70) ALDH1A1MEN1KMT2APKMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292996-A2 MULTILAYER STRUCTURES AS STABLE HOLE-INJECTING ELECTRODES FOR USE IN HIGH EFFICIENCY ORGANIC ELECTRONIC DEVICES DuPont Displays, Inc. (US) 2003-03-19 EP disclosed
EP-1292985-A2 HIGH RESISTANCE CONDUCTIVE POLYMERS FOR USE IN HIGH EFFICIENCY PIXELLATED ORGANIC ELECTRONIC DEVICES UNIAX CORPORATION (US) 2003-03-19 EP disclosed
WO-2001099192-A2 HIGH RESISTANCE CONDUCTIVE POLYMERS FOR USE IN HIGH EFFICIENCY PIXELLATED ORGANIC ELECTRONIC DEVICES DUPONT DISPLAYS, INC. (US) 2001-12-27 WO disclosed
WO-2001099207-A2 MULTILAYER STRUCTURES AS STABLE HOLE-INJECTING ELECTRODES FOR USE IN HIGH EFFICIENCY ORGANIC ELECTRONIC DEVICES DUPONT DISPLAYS, INC. (US) 2001-12-27 WO disclosed
EP-0754353-A4 BILAYER COMPOSITE ELECTRODES FOR DIODES UNIAX CORP (US) 1998-08-19 EP disclosed
EP-0754353-A1 BILAYER COMPOSITE ELECTRODES FOR DIODES UNIAX CORPORATION (US) 1997-01-22 EP disclosed
WO-1995024056-A1 BILAYER COMPOSITE ELECTRODES FOR DIODES UNIAX CORPORATION (US) 1995-09-08 WO disclosed