SCHEMBL18767669

SCHEMBL18767669

c1ccc(C2NC(c3ccccc3)NC(c3ccc(-c4ccc5c(ccc6ccc7sc8ccccc8c7c65)c4)cc3)N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ ERBB2 P04626 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ AHR P35869 1/20 0.31

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
SCHEMBL18767344 0.91 MAPT (0.34) MAPTMEN1POLBDUSP3BLM
SCHEMBL21883445 0.80 F9 (0.38) F9MAPTMEN1KMT2AESR1
SCHEMBL18767670 0.80 F9 (0.38) F9MAPTMEN1KMT2AESR1
SCHEMBL18767356 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL21883363 0.79 F9 (0.37) F9MAPTMEN1POLBDUSP3
SCHEMBL21883744 0.78 F9 (0.35) F9MAPTMEN1POLBDUSP3
SCHEMBL21883451 0.77 F9 (0.36) F9MAPTMEN1KMT2AESR1
SCHEMBL21883743 0.77 F9 (0.36) F9MAPTMEN1KMT2AESR1
SCHEMBL21883442 0.77 F9 (0.36) F9MAPTMEN1KMT2AESR1
SCHEMBL21883453 0.77 F9 (0.36) F9MAPTMEN1KMT2AESR1

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-2017065419-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-04-20 — — WO disclosed
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