SCHEMBL7005622

SCHEMBL7005622

CNc1ccccc1N(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 6/20 0.57
TDP1 Q9NUW8 5/20 0.57
L3MBTL1 Q9Y468 5/20 0.57
CYP3A4 P08684 5/20 0.57
KDM4E B2RXH2 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 3/20 0.37
RECQL P46063 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
PSMD14 O00487 1/20 0.37
GFER P55789 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7004594 0.81 MAPT (0.55) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7006142 0.81 ALDH1A1 (0.77) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7005124 0.81 L3MBTL1 (0.50) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7008883 0.81 ALDH1A1 (0.42) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7007805 0.79 MAPT (0.55) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7005122 0.79 MAPT (0.51) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL6928517 0.77 CYP3A4 (0.63) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7009406 0.77 ALDH1A1 (0.63) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7008498 0.77 TDP1 (0.63) ALDH1A1MAPTTDP1L3MBTL1CYP3A4
SCHEMBL7005618 0.77 ALDH1A1 (0.69) ALDH1A1MAPTTDP1L3MBTL1CYP3A4

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