SCHEMBL18915458

SCHEMBL18915458

O=[N+]([O-])c1ccc2c(c1-c1cccc3c1ccc1ccccc13)CNN2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ CTSB P07858 2/20 0.35
▸ AR P10275 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ S100A4 P26447 2/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MAPT P10636 4/20 0.32
▸ PNMT P11086 1/20 0.32
▸ GUSB P08236 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ C1R P00736 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18915571 0.71 KIF11 (0.40) HPRT1ALDH1A1LMNARAB9A
SCHEMBL17998719 0.70 ALDH1A1 (0.59) HPRT1ALDH1A1CTSBS100A4PTPRC
SCHEMBL31219526 0.70 ALDH1A1 (0.59) HPRT1ALDH1A1CTSBS100A4PTPRC
SCHEMBL15801782 0.69 ALDH1A1 (0.41) HPRT1ALDH1A1S100A4PTPRCKMT2A
SCHEMBL17841980 0.68 HPRT1 (0.65) HPRT1ALDH1A1S100A4PTPRCKMT2A
SCHEMBL15821069 0.68 HPRT1 (0.65) HPRT1ALDH1A1S100A4PTPRCKMT2A
SCHEMBL18914945 0.67 CDK4 (0.38) RAB9A
SCHEMBL31677740 0.66 ALDH1A1 (0.78) HPRT1ALDH1A1CTSBGAASMN1; SMN2
SCHEMBL1556587 0.66 ALDH1A1 (0.78) HPRT1ALDH1A1CTSBGAASMN1; SMN2
SCHEMBL29789001 0.66 ALDH1A1 (0.78) HPRT1ALDH1A1CTSBGAASMN1; SMN2

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-2017090901-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-01 — — WO disclosed
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