SCHEMBL15801782

SCHEMBL15801782

O=[N+]([O-])c1ccc2ccccc2c1-c1cccc2c1ccc1ccn(-c3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ HPRT1 P00492 1/20 0.40
▸ FGFR1 P11362 1/20 0.38
▸ MEN1 O00255 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ S100A4 P26447 2/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ DNMT1 P26358 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ CASP6 P55212 1/20 0.33

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
SCHEMBL15796880 0.85 FGFR1 (0.44) ALDH1A1HPRT1FGFR1MEN1KMT2A
SCHEMBL15801784 0.81 PTGES (0.37) ALDH1A1HPRT1FGFR1MEN1KMT2A
SCHEMBL16828132 0.81 FGFR1 (0.44) ALDH1A1HPRT1FGFR1MEN1KMT2A
SCHEMBL31219526 0.79 ALDH1A1 (0.59) ALDH1A1HPRT1MEN1KMT2ANPC1
SCHEMBL17998719 0.79 ALDH1A1 (0.59) ALDH1A1HPRT1MEN1KMT2ANPC1
SCHEMBL15596393 0.77 FGFR1 (0.48) ALDH1A1FGFR1MEN1KMT2AS100A4
SCHEMBL19031820 0.76 BIRC5 (0.45) ALDH1A1HPRT1MEN1KMT2ANPC1
SCHEMBL15801729 0.76 FGFR1 (0.44) ALDH1A1FGFR1MEN1KMT2ANPC1
SCHEMBL15811002 0.75 HPRT1 (0.41) ALDH1A1HPRT1FGFR1MEN1KMT2A
SCHEMBL16828131 0.75 HPRT1 (0.50) ALDH1A1HPRT1MEN1KMT2AHPGD

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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