SCHEMBL9655460

SCHEMBL9655460

O=[N+]([O-])c1ccc(OS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 4/20 0.54
HSPB1 P04792 3/20 0.54
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 3/20 0.50
HIF1A Q16665 2/20 0.50
GPR35 Q9HC97 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
TTR P02766 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9655466 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL9655475 0.86 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL27527530 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL8616810 0.82 HSPB1 (0.51) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL708511 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL29390372 0.81 HSPB1 (0.73) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL1042708 0.81 HSPB1 (0.73) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL5148413 0.80 ALPL (0.48) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL30062473 0.80 ALPL (0.48) ALDH1A1MEN1KMT2AMAPTHSPB1
SCHEMBL28774757 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622757-A Antibodies that bind to lysyl oxidase-like 2(LOXL2) and methods of use therefor GILEAD BIOLOGICS INC 2016-06-01 CN disclosed
CN-101230026-B Method for preparing 4,4'-di(2,4-dinitro-phenoxy) sulfone UNIV DONGHUA 2012-07-18 CN disclosed
CN-101245041-B Process for producing 4,4'-bis(2,4-diaminophenyloxy)diphenyl sulfone UNIV DONGHUA 2010-12-01 CN disclosed
CN-101245041-A Process for producing 4,4'-bis(2,4-diaminophenyloxy)diphenyl sulfone UNIV DONGHUA (CN) 2008-08-20 CN disclosed
CN-101230026-A Method for preparing 4,4'-di(2,4-dinitro-phenoxy) sulfone UNIV DONGHUA (CN) 2008-07-30 CN disclosed
EP-0226516-B1 AMIDE DERIVATIVES AND ANTIALLERGIC AGENTS CONTAINING THE SAME TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1992-07-29 EP disclosed
US-4906631-A Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA (JP) 1990-03-06 US disclosed
US-4859673-A Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA (JP) 1989-08-22 US disclosed
US-4795752-A Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA (JP) 1989-01-03 US disclosed
EP-0244319-A2 Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1987-11-04 EP disclosed
EP-0226516-A2 Amide derivatives and antiallergic agents containing the same TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1987-06-24 EP disclosed