SCHEMBL7013209

SCHEMBL7013209

Cc1ccc(N(c2ccc(C)cc2)c2ccccc2N(c2ccccc2)c2ccc(N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
TDP1 Q9NUW8 5/20 0.63
CYP3A4 P08684 4/20 0.63
MAPT P10636 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CYP2C19 P33261 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
ACHE P22303 2/20 0.50
TSHR P16473 4/20 0.41
MAPK1 P28482 2/20 0.41
TEAD4 Q15561 1/20 0.41
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 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
SCHEMBL7009406 1.00 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL7009291 0.96 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL8420628 0.90 ALDH1A1 (0.78) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL29268252 0.90 CYP2C19 (0.47) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL8105552 0.90 CYP2C19 (0.47) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL2146885 0.90 CYP2C19 (0.47) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL7006142 0.90 ALDH1A1 (0.77) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL7007815 0.87 TDP1 (0.50) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL7147096 0.85 TSHR (0.48) ALDH1A1TDP1CYP3A4MAPTL3MBTL1
SCHEMBL7009409 0.85 CYP3A4 (0.59) ALDH1A1TDP1CYP3A4MAPTL3MBTL1

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 3 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
EP-0995786-A1 Electrochromic device Nippon Mitsubishi Oil Corporation (JP) 2000-04-26 EP disclosed