SCHEMBL7620577

SCHEMBL7620577

C(/C=C/c1ccccc1)=C\c1ccccc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
RELA Q04206 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.43
ALOX5 P09917 1/20 0.43
CA1 P00915 1/20 0.41
MGLL Q99685 1/20 0.41
APP P05067 3/20 0.41
HDAC2 Q92769 2/20 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
SCHEMBL14490245 0.96 MAOB (0.50) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL18419707 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL18680255 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL16979807 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL2718806 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL10036459 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL15760074 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL13304633 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL20663964 0.96 MAOB (0.56) MAOBRELAALDH1A1MAPTL3MBTL1
SCHEMBL13304630 0.96 MAOB (0.50) MAOBRELAALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433355-B1 Non-degenerate wide bandgap semiconductors as injection layers and/or contact electrodes for organic electroluminescent devices INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-08-13 US disclosed