SCHEMBL19031820

SCHEMBL19031820

O=[N+]([O-])c1ccc2ccccc2c1-c1cccc2c1ccn2-c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 5/20 0.36
▸ HPRT1 P00492 1/20 0.35
▸ NPC1 O15118 6/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ RAB9A P51151 5/20 0.33
▸ LMNA P02545 3/20 0.33
▸ S100A4 P26447 2/20 0.33
▸ PTPRC P08575 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ PAX8 Q06710 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
SCHEMBL31219526 0.77 ALDH1A1 (0.59) ALDH1A1MAPTHPRT1NPC1KMT2A
SCHEMBL17998719 0.77 ALDH1A1 (0.59) ALDH1A1MAPTHPRT1NPC1KMT2A
SCHEMBL15801782 0.76 ALDH1A1 (0.41) ALDH1A1MAPTHPRT1NPC1KMT2A
SCHEMBL25184769 0.73 ALDH1A1 (0.50) ALDH1A1MAPTHPRT1NPC1KMT2A
SCHEMBL15568528 0.72 TDP1 (0.46) ALDH1A1MAPTKMT2AMEN1S100A4
SCHEMBL24326903 0.71 ALDH1A1 (0.51) ALDH1A1MAPTHPRT1KMT2AMEN1
SCHEMBL20029707 0.71 ALDH1A1 (0.51) ALDH1A1MAPTHPRT1NPC1KMT2A
SCHEMBL15811002 0.70 HPRT1 (0.41) BIRC5ALDH1A1MAPTHPRT1KMT2A
SCHEMBL15845440 0.70 HSD11B1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL19163224 0.70 ALDH1A1 (0.39) ALDH1A1MAPTHPRT1NPC1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017111360-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-29 — — WO disclosed
WO-2017111360-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2017-06-29 — — WO disclosed
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