SCHEMBL6582839

SCHEMBL6582839

O=C(CO)c1cc(Br)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ACP1 P24666 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALOX5 P09917 2/20 0.43
GAA P10253 2/20 0.43
GSK3B P49841 1/20 0.42
NPC1 O15118 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 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
SCHEMBL9999712 0.87 CYP3A4 (0.53) CYP3A4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11067722 0.87 CYP3A4 (0.59) CYP3A4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11810790 0.85 CYP3A4 (0.49) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL30410721 0.82 CYP3A4 (0.52) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL16951450 0.81 MEN1 (0.41) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL6771209 0.81 TSHR (0.59) CYP3A4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL91278 0.80 TP53 (0.55) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL2170079 0.80 CYP3A4 (0.50) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL15054592 0.80 TP53 (0.55) CYP3A4SMN1; SMN2MEN1KMT2AACP1
SCHEMBL11062715 0.80 NPC1 (0.46) CYP3A4SMN1; SMN2MEN1KMT2AALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101450943-B Method for synthesizing drug pranlukast from tetrahydrofuran path UNIV HEBEI SCIENCE & TECH 2012-11-07 CN claimed
CN-102304052-A Method for preparing 5-bromo-2-hydroxy-3-nitroacetophenone UNIV ZHEJIANG 2012-01-04 CN claimed
CN-101450943-A Method for synthesizing drug pranlukast from tetrahydrofuran path UNIV HEBEI SCIENCE & TECH (CN) 2009-06-10 CN claimed
CN-104402728-A Preparation method for 5-chlorine-2-hydroxyl-3-nitroacetophenone SHANDONG JINCHENG PHARMACEUTICAL & CHEMICAL CO LTD 2015-03-11 CN disclosed
CN-101450943-B Method for synthesizing drug pranlukast from tetrahydrofuran path UNIV HEBEI SCIENCE & TECH 2012-11-07 CN disclosed
CN-101781288-B Preparation method of Pranlukast intermediate UNIV ZHEJIANG 2012-01-25 CN disclosed
CN-102304052-A Method for preparing 5-bromo-2-hydroxy-3-nitroacetophenone UNIV ZHEJIANG 2012-01-04 CN disclosed
CN-102304052-A Method for preparing 5-bromo-2-hydroxy-3-nitroacetophenone UNIV ZHEJIANG 2012-01-04 CN disclosed
CN-102304052-A Method for preparing 5-bromo-2-hydroxy-3-nitroacetophenone UNIV ZHEJIANG 2012-01-04 CN disclosed
CN-101781288-A Preparation method of Pranlukast intermediate UNIV ZHEJIANG 2010-07-21 CN disclosed
CN-101450943-A Method for synthesizing drug pranlukast from tetrahydrofuran path UNIV HEBEI SCIENCE & TECH (CN) 2009-06-10 CN disclosed
EP-1216221-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-26 EP disclosed
EP-0888327-B1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION MENARINI LAB (ES) 2002-06-12 EP disclosed
WO-2001019770-A2 RXR MODULATORS WITH IMPROVED PHARMACOLOGIC PROFILE LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-22 WO disclosed
US-5990142-A ANTIINFLAMMATORY AGENTS AND ANTIALLERGENS HAVING GOOD ORAL ADSORPTION AND BIOAVAILABILITY; CARDIOTONIC AND ANTIISCHEMIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1999-11-23 US disclosed
EP-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed