SCHEMBL7007008

SCHEMBL7007008

CN(c1ccc(N)cc1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
MAPT P10636 7/20 0.69
L3MBTL1 Q9Y468 5/20 0.69
CYP3A4 P08684 4/20 0.69
ALOX12 P18054 3/20 0.69
CYP1A2 P05177 3/20 0.69
CYP2C9 P11712 3/20 0.69
CYP2C19 P33261 3/20 0.69
HTT P42858 2/20 0.69
TDP1 Q9NUW8 6/20 0.50
ALOX15 P16050 5/20 0.50
HSD17B10 Q99714 4/20 0.50
MAPK1 P28482 3/20 0.50
TSHR P16473 2/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
PTGS2 P35354 1/20 0.50
HTR2B P41595 1/20 0.50
NR3C2 P08235 1/20 0.47
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL7903789 0.95 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL27315184 0.90 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL9782622 0.88 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL9513157 0.86 NR3C2 (0.60) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL1833891 0.83 CYP3A4 (0.65) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
Diphenylamine SCHEMBL2721122 0.83 HSD17B10 (0.60) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL15371 0.83 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL6405773 0.83 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL13644737 0.83 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12
SCHEMBL22282997 0.83 ALDH1A1 (1.00) ALDH1A1MAPTL3MBTL1CYP3A4ALOX12

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