SCHEMBL27508686

SCHEMBL27508686

O=[N+]([O-])c1ccc(Br)c(CC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
CA2 P00918 3/20 0.39
CA5A P35218 3/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL16425427 0.83 ALDH1A1 (0.43) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL27455049 0.81 ALDH1A1 (0.53) ALDH1A1TDP1HIF1ACA2CA5A
SCHEMBL11597420 0.81 TDP1 (0.50) ALDH1A1TDP1CYP3A4HIF1ACA2
SCHEMBL10748239 0.80 HSD17B10 (0.55) ALDH1A1TDP1LMNAHSD17B10PDE7A
SCHEMBL30279963 0.79 PTPRC (0.46) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL532452 0.79 PTPRC (0.46) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL13043154 0.79 POLB (0.53) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL27601633 0.78 ALDH1A1 (0.49) PTPRCS100A4ALDH1A1TDP1HIF1A
SCHEMBL2860338 0.77 TSHR (0.49) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL135919 0.77 CA1 (0.45) PTPRCS100A4ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101337895-B Method for preparing 2,2'-di(trifluoromethyl)-4,4'-benzidine WUYI TIANDA PREC CHEMICAL HIGH NEW TECHNOLOGY DEV CT 2011-05-11 CN claimed
CN-101337895-A Method for preparing 2,2'-di(trifluoromethyl)-4,4'-benzidine WUYI TIANDA PREC CHEMICAL HIGH (CN) 2009-01-07 CN claimed
CN-101337892-A Method for preparing 2-brom-5-nitrobenzotrifluoride WUYI TIANDA PREC CHEMICAL HIGH (CN) 2009-01-07 CN claimed
CN-106316864-A Preparation method of 4-methyl-3-trifluoromethyl phenylamine 苏州天马精细化学品股份有限公司 2017-01-11 CN disclosed
CN-101337895-B Method for preparing 2,2'-di(trifluoromethyl)-4,4'-benzidine WUYI TIANDA PREC CHEMICAL HIGH NEW TECHNOLOGY DEV CT 2011-05-11 CN disclosed
CN-101337895-A Method for preparing 2,2'-di(trifluoromethyl)-4,4'-benzidine WUYI TIANDA PREC CHEMICAL HIGH (CN) 2009-01-07 CN disclosed
CN-101337892-A Method for preparing 2-brom-5-nitrobenzotrifluoride WUYI TIANDA PREC CHEMICAL HIGH (CN) 2009-01-07 CN disclosed
CN-100427483-C Anthranilic acid amide derivatives and their pharmaceutical use NOVARTIS AG (CH) 2008-10-22 CN disclosed
CN-101198607-A Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2008-06-11 CN disclosed
CN-101045727-A Inhibitors of tyrosine kinases NOVARTIS AG (CH) 2007-10-03 CN disclosed
CN-1324022-C Tyrosine kinase inhibitors NOVARTIS AG (CH) 2007-07-04 CN disclosed
CN-1279026-C Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2006-10-11 CN disclosed
CN-1720244-A Anthranilic acid amide derivatives and their pharmaceutical use NOVARTIS AG (CH) 2006-01-11 CN disclosed
CN-1675195-A Tyrosine kinase inhibitors NOVARTIS AG (CH) 2005-09-28 CN disclosed
CN-1167687-C Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ���Ͽع����޹�˾ 2004-09-22 CN disclosed
CN-1342149-A Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2002-03-27 CN disclosed
CN-1277605-A Arylpyridazinones as prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LAB (US) 2000-12-20 CN disclosed