SCHEMBL16050110

SCHEMBL16050110

O=[N+]([O-])c1ccccc1-c1cccc2c1ccn2-c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ S100A4 P26447 2/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34

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
SCHEMBL15568528 0.81 TDP1 (0.46) HSP90AA1TDP1ALDH1A1S100A4PTPRC
SCHEMBL17029042 0.80 ALDH1A1 (0.39) TDP1ALDH1A1LMNACA2CA9
SCHEMBL17029046 0.77 ALDH1A1 (0.42) TDP1ALDH1A1LMNACA2CA9
SCHEMBL17029045 0.77 ALDH1A1 (0.42) TDP1ALDH1A1LMNACA2CA9
SCHEMBL17035156 0.76 TDP1 (0.53) TDP1ALDH1A1LMNAS100A4PTPRC
SCHEMBL15594724 0.74 GABRA1 (0.40) HSP90AA1TDP1ALDH1A1LMNAS100A4
SCHEMBL7695295 0.72 ALDH1A1 (0.59) HSP90AA1TDP1ALDH1A1LMNAS100A4
SCHEMBL15055546 0.72 TDP1 (0.67) TDP1ALDH1A1LMNAS100A4PTPRC
SCHEMBL16340993 0.70 EIF4E (0.41) TDP1ALDH1A1LMNA
SCHEMBL8819127 0.70 ALDH1A1 (0.52) TDP1ALDH1A1LMNAS100A4PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
WO-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 — — WO disclosed
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