SCHEMBL7903789

SCHEMBL7903789

CN(c1ccc(N)cc1)c1ccc(-c2ccc(Nc3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
CYP3A4 P08684 6/20 0.62
MAPT P10636 6/20 0.62
L3MBTL1 Q9Y468 5/20 0.62
CYP1A2 P05177 3/20 0.62
ALOX12 P18054 3/20 0.62
CYP2C19 P33261 3/20 0.62
CYP2C9 P11712 2/20 0.62
HTT P42858 1/20 0.62
KDM1A O60341 3/20 0.50
TDP1 Q9NUW8 6/20 0.47
HSD17B10 Q99714 6/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 5/20 0.45
MAPK1 P28482 4/20 0.45
TSHR P16473 3/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PTGS2 P35354 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL7007008 0.95 ALDH1A1 (0.69) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL18432000 0.89 NR3C2 (0.53) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL16200542 0.87 NR3C2 (0.50) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL27315184 0.85 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL7007688 0.85 MAPT (0.86) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL2478605 0.85 MAPT (0.86) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL7005833 0.84 MAPT (0.64) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL9782622 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
Benzidine SCHEMBL27471667 0.83 MAPT (0.81) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2
SCHEMBL7014040 0.82 MAPT (0.67) ALDH1A1CYP3A4MAPTL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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