SCHEMBL15801729

SCHEMBL15801729

O=[N+]([O-])c1ccccc1-c1cccc2ccc3ccn(-c4ccccc4)c3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR1A P08908 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ S100A4 P26447 2/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL15596393 0.89 FGFR1 (0.48) FGFR1ALDH1A1TDP1MAPTKMT2A
SCHEMBL15796880 0.85 FGFR1 (0.44) FGFR1ALDH1A1TDP1MAPTKMT2A
SCHEMBL16828132 0.82 FGFR1 (0.44) FGFR1ALDH1A1TDP1HTR2AHTR6
SCHEMBL15845501 0.82 ALDH1A1 (0.42) FGFR1ALDH1A1TDP1MAPTKMT2A
SCHEMBL23025146 0.77 ALDH1A1 (0.57) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL15569024 0.77 FGFR1 (0.39) FGFR1ALDH1A1TDP1MAPTKMT2A
SCHEMBL15845592 0.76 HSD11B1 (0.41) FGFR1ALDH1A1TDP1MAPTKMT2A
SCHEMBL15801782 0.76 ALDH1A1 (0.41) FGFR1ALDH1A1TDP1MAPTKMT2A
SCHEMBL17029042 0.74 ALDH1A1 (0.39) FGFR1ALDH1A1TDP1HTR1ADRD2
SCHEMBL15796872 0.73 ALDH1A1 (0.39) FGFR1ALDH1A1TDP1MAPTKMT2A

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-2014092354-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-19 — — WO disclosed
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