SCHEMBL7003441

SCHEMBL7003441

CN(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
CYP3A4 P08684 5/20 0.69
TDP1 Q9NUW8 5/20 0.69
L3MBTL1 Q9Y468 3/20 0.69
KDM4E B2RXH2 2/20 0.69
MAPT P10636 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
HSD17B10 Q99714 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
MAPK1 P28482 3/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 2/20 0.45
CHKA P35790 2/20 0.44
TSHR P16473 2/20 0.41
PSMD14 O00487 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL7009654 0.94 ALDH1A1 (0.78) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL7793770 0.90 ALDH1A1 (0.86) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL14461276 0.90 CHKA (0.50) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL14461271 0.90 ALDH1A1 (0.86) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL19998709 0.90 CHKA (0.50) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL69032 0.90 ALDH1A1 (0.86) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL12294994 0.90 CHKA (0.50) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL3478291 0.90 ALDH1A1 (0.86) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL12714629 0.90 ALDH1A1 (0.86) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E
SCHEMBL7012980 0.90 ALDH1A1 (0.86) ALDH1A1CYP3A4TDP1L3MBTL1KDM4E

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