SCHEMBL7003331

SCHEMBL7003331

CN(C)c1ccccc1N(C)c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
TDP1 Q9NUW8 5/20 0.54
CYP3A4 P08684 4/20 0.54
MAPK1 P28482 3/20 0.54
TP53 P04637 2/20 0.54
ALOX15 P16050 2/20 0.54
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHEK1 O14757 1/20 0.44
NEK2 P51955 1/20 0.44
LIMK1 P53667 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TSHR P16473 4/20 0.39
PSMD14 O00487 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
SCHEMBL7009591 0.83 CYP3A4 (0.48) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL7009656 0.82 CYP3A4 (0.61) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL10802759 0.82 CHKA (0.42) ALDH1A1TDP1MAPK1TP53MAPT
SCHEMBL8652577 0.82 CYP3A4 (0.46) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL7008498 0.80 TDP1 (0.63) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL23720055 0.80 CYP3A4 (0.45) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL1833891 0.78 CYP3A4 (0.65) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL7008883 0.77 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL22453699 0.77 DHFR (0.49) ALDH1A1TDP1CYP3A4MAPK1TP53
SCHEMBL21474106 0.77 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995786-B1 Electrochromic device NIPPON MITSUBISHI OIL CORP (JP) 2003-01-08 EP disclosed
US-6208452-B1 HAS AN ION CONDUCTIVE LAYER OBTAINED BY CURING A COMPOSITION COMPRISING A BIPYRIDINIUM COMPOUND, A SPECIFIC AMINE COMPOUND AND A PRECURSOR COMPONENT OF A POLYMERIC SOLID ELECTROLYTE DISPOSED BETWEEN TWO ELECTRICALLY CONDUCTIVE SUBSTRATES NIPPON MITSUBISHI OIL CORPORATION (JP) 2001-03-27 US disclosed
US-6203154-B1 MULTILAYER NIPPON MITSUBISHI OIL CORPORATION (JP) 2001-03-20 US disclosed
EP-1041425-A1 ELECTROCHROMIC ELEMENT Nippon Mitsubishi Oil Corporation (JP) 2000-10-04 EP disclosed
EP-0995786-A1 Electrochromic device Nippon Mitsubishi Oil Corporation (JP) 2000-04-26 EP disclosed