SCHEMBL13680424

SCHEMBL13680424

O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 7/20 0.68
CYP1A1 P04798 5/20 0.68
CYP3A4 P08684 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
ABCG2 Q9UNQ0 4/20 0.62
MAPT P10636 5/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
TP53 P04637 2/20 0.60
HPGD P15428 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
MAOB P27338 2/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
MAOA P21397 1/20 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
SCHEMBL12306185 0.95 CYP1B1 (0.63) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7913782 0.95 CYP1B1 (0.71) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL699741 0.95 CYP1B1 (0.71) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL2754551 0.92 CYP1B1 (0.60) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7641857 0.92 MAPT (0.66) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL8877657 0.92 CYP1B1 (0.72) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL14601354 0.92 MAPT (0.66) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL8877653 0.92 CYP1B1 (0.72) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL13203438 0.90 CYP1B1 (0.69) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6
SCHEMBL6936903 0.89 CYP1B1 (0.72) CYP1B1CYP1A1CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582364-B2 Utilizing phosphorescence which emits light efficiently with high luminance at low current density; flat panel displays NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-09-01 US disclosed
US-7582364-B2 Utilizing phosphorescence which emits light efficiently with high luminance at low current density; flat panel displays NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-09-01 US disclosed
US-20070012935-A1 Organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-01-18 US disclosed
US-20070012935-A1 Organic electroluminescent device NIPPON STEEL CHEMICAL CO., LTD. (JP) 2007-01-18 US disclosed