SCHEMBL17794530

SCHEMBL17794530

c1ccc2c(c1)c1ccccc1c1cc(Nc3ccc(-c4ccc(Nc5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
AR P10275 1/20 0.46
HSD17B10 Q99714 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
ALOX12 P18054 2/20 0.46
ALOX15 P16050 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2B P41595 1/20 0.46
CYP3A4 P08684 3/20 0.43
HPGD P15428 2/20 0.43
MAPK10 P53779 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL17742373 0.96 MAPK10 (0.49) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL23384417 0.96 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL30539515 0.96 MAPK10 (0.49) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL23384454 0.91 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL1551938 0.88 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL24056408 0.87 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL24057750 0.87 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL23608919 0.87 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL30564893 0.87 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL19660503 0.84 EPHX2 (0.51) ALDH1A1MAPTMEN1KMT2AAR

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
WO-2016084303-A1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING CONDENSED RINGS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING DEVICE, IMAGE FORMING APPARATUS AND EXPOSURE UNIT, EACH CONTAINING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-06-02 WO disclosed