SCHEMBL7009591

SCHEMBL7009591

CN(c1ccc(N)cc1)c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.48
TDP1 Q9NUW8 6/20 0.48
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 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
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
CHEK1 O14757 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 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
SCHEMBL30936642 0.87 MAPK13 (0.43) CYP3A4TDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL5741661 0.87 MAPK13 (0.43) CYP3A4TDP1ALDH1A1ALOX15L3MBTL1
SCHEMBL11752540 0.84 MAPK13 (0.49) ALOX15MAPTMAPK13MAPK12MAPK11
SCHEMBL7003331 0.83 ALDH1A1 (0.54) CYP3A4TDP1ALDH1A1ALOX15MAPK1
SCHEMBL15268120 0.82 CHEK1 (0.48) CYP3A4TDP1ALDH1A1ALOX15TP53
SCHEMBL8652577 0.82 CYP3A4 (0.46) CYP3A4TDP1ALDH1A1ALOX15MAPK1
SCHEMBL23720055 0.80 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1ALOX15MAPK1
SCHEMBL7009656 0.79 CYP3A4 (0.61) CYP3A4TDP1ALDH1A1ALOX15MAPK1
SCHEMBL1833891 0.78 CYP3A4 (0.65) CYP3A4TDP1ALDH1A1ALOX15MAPK1
SCHEMBL22453699 0.77 DHFR (0.49) CYP3A4TDP1ALDH1A1ALOX15MAPK1

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