SCHEMBL7007688

SCHEMBL7007688

Nc1ccc(Nc2ccc(-c3ccc(Nc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.86
ALDH1A1 P00352 8/20 0.86
CYP3A4 P08684 3/20 0.86
L3MBTL1 Q9Y468 3/20 0.86
ALOX12 P18054 2/20 0.86
HTT P42858 2/20 0.86
CYP1A2 P05177 2/20 0.86
CYP2C9 P11712 2/20 0.86
CYP2C19 P33261 2/20 0.86
TDP1 Q9NUW8 5/20 0.64
HSD17B10 Q99714 5/20 0.64
TAAR1 Q96RJ0 1/20 0.64
ALOX15 P16050 4/20 0.62
TSHR P16473 2/20 0.62
MAPK1 P28482 2/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
PTGS2 P35354 1/20 0.62
HTR2B P41595 1/20 0.62
MEN1 O00255 4/20 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
SCHEMBL2478605 1.00 MAPT (0.86) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
Benzidine SCHEMBL27471667 0.98 MAPT (0.81) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
SCHEMBL5803919 0.95 MAPT (0.77) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
SCHEMBL6405773 0.93 ALDH1A1 (1.00) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
SCHEMBL15371 0.93 ALDH1A1 (1.00) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
SCHEMBL13644737 0.93 ALDH1A1 (1.00) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
SCHEMBL28848194 0.93 ALDH1A1 (1.00) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
SCHEMBL22282997 0.93 ALDH1A1 (1.00) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
Ammonia Solution, Strong SCHEMBL10666867 0.90 ALDH1A1 (0.95) MAPTALDH1A1CYP3A4L3MBTL1ALOX12
SCHEMBL30918752 0.90 ALDH1A1 (0.95) MAPTALDH1A1CYP3A4L3MBTL1ALOX12

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