SCHEMBL3986259

SCHEMBL3986259

O=C(O)CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
PTGES O14684 1/20 0.50
ATM Q13315 1/20 0.45
PTPN1 P18031 1/20 0.45
TP53 P04637 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL455112 0.89 ALOX5 (0.49) ALOX5PTGESATMPTPN1TP53
SCHEMBL11100493 0.87 ALOX5 (0.51) ALOX5PTGESATMPTPN1TP53
SCHEMBL9560310 0.86 ALOX5 (0.49) ALOX5PTGESATMPTPN1TP53
SCHEMBL735945 0.81 ATM (0.59) ALOX5ATMTP53MAPK1ALDH1A1
SCHEMBL14427566 0.79 ALDH1A1 (0.52) ALOX5PTGESTP53SIGMAR1MAPT
SCHEMBL10530983 0.76 ALDH1A1 (0.57) ALOX5ATMTP53MAPK1ALDH1A1
SCHEMBL7789901 0.74 TP53 (0.55) ATMTP53MAPTALDH1A1CES2
SCHEMBL10822129 0.72 SIGMAR1 (0.47) SIGMAR1TDP1ALDH1A1NPSR1HPGD
SCHEMBL7534105 0.72 CYP3A4 (0.50) ALOX5ATMTP53CES2CES1
SCHEMBL10525429 0.70 ALDH1A1 (0.72) ALOX5ATMTP53MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1020445-A None JP disclosed
EP-1507574-B1 SEPARATION COLUMN HAVING A PHOTOPOLYMERIZED SOL-GEL COMPONENT AND ASSOCIATED METHODS UNIV LELAND STANFORD JUNIOR (US) 2009-05-27 EP disclosed
EP-1507574-A4 SEPARATION COLUMN HAVING A PHOTOPOLYMERIZED SOL-GEL COMPONENT AND ASSOCIATED METHODS UNIV LELAND STANFORD JUNIOR (US) 2005-09-07 EP disclosed
CN-1630546-A Separation column having a photopolymerized sol-gel component and associated methods UNIV LELAND STANFORD JUNIOR (US) 2005-06-22 CN disclosed
US-6875348-B2 Separation column having a photopolymerized sol-gel component and associated methods THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-04-05 US disclosed
EP-1507574-A2 SEPARATION COLUMN HAVING A PHOTOPOLYMERIZED SOL-GEL COMPONENT AND ASSOCIATED METHODS The Board of Trustees of The Leland Stanford Junior University (US) 2005-02-23 EP disclosed
US-20030062310-A1 Separation column having a photopolymerized sol-gel component and associated methods THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-04-03 US disclosed
WO-2003016859-A2 SEPARATION COLUMN HAVING A PHOTOPOLYMERIZED SOL-GEL COMPONENT AND ASSOCIATED METHODS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2003-02-27 WO disclosed
US-5674387-A USEFUL FOR SEPARATION OF UNDERIVATIZED ENANTIOMERS OF NONSTEROIDAL ANTIINFLAMMATORY AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-10-07 US disclosed
EP-0299793-B1 PACKING MATERIALS FOR ANALYSING ENANTIOMER MIXTURES BY LIQUID CHROMATOGRAPHY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-31 EP disclosed
US-4963254-A INORGANIC CARRIER HAVING GRAFTED AN ORGANOSILANE AND A CARBON REPRESENTING ASYMMETRIC; ANALYSIS FOR ENANTIOMORPHS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-16 US disclosed
JP-S6420445-A CHROMATOGRAPH PACKING AGENT AND ANALYSIS OF ENANTIOMER USING SAID AGENT SUMITOMO CHEMICAL CO 1989-01-24 JP disclosed
EP-0299793-A2 Packing materials for analysing enantiomer mixtures by liquid chromatography SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-18 EP disclosed