SCHEMBL22605285

SCHEMBL22605285

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccncc5)ccc34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ GRIA1 P42261 1/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42
▸ CACNG2 Q9Y698 1/20 0.42
▸ MAPK10 P53779 8/20 0.41
▸ MAPK9 P45984 3/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ G6PD P11413 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ MAPK8 P45983 1/20 0.38

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
SCHEMBL25668147 0.95 ESR1 (0.52) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL20906742 0.95 ESR1 (0.52) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL17932821 0.95 ESR1 (0.52) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL22605107 0.94 MEN1 (0.56) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL3741033 0.94 ESR1 (0.53) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL23784952 0.94 ESR1 (0.53) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL29444815 0.94 ESR1 (0.53) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL12571637 0.94 ESR1 (0.53) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL25668125 0.94 ESR1 (0.53) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL10353327 0.94 ESR1 (0.53) MEN1KMT2AHSP90AA1MAPTESR1

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-2020215564-A1 ORGANIC LIGHT-EMITTING MATERIAL AND PREPARATION METHOD AND APPLICATION THEREOF 吉林奥来德光电材料股份有限公司 2020-10-29 — — WO disclosed
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