SCHEMBL2914635

SCHEMBL2914635

O=C(O)CNc1ccccc1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
KMT2A Q03164 8/20 0.48
MAPT P10636 8/20 0.48
MEN1 O00255 6/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
TRPA1 O75762 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL3134716 0.87 CTSD (0.51) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL1115173 0.81 ALOX5 (0.48) KMT2AMAPTMEN1GAACYP1A2
SCHEMBL468372 0.80 ALDH1A1 (0.61) KMT2AMAPTMEN1GAACYP1A2
SCHEMBL7697 0.80 MEN1 (0.43) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL5341177 0.78 CES2 (0.63) CES2KMT2AMAPTMEN1CYP1A2
SCHEMBL6622338 0.76 KMT2A (0.53) CES2KMT2AMAPTMEN1GAA
SCHEMBL29355334 0.76 CES2 (0.75) CES2KMT2AMAPTMEN1GAA
SCHEMBL11230405 0.76 CES2 (0.75) CES2KMT2AMAPTMEN1GAA
Hydrochloric Acid SCHEMBL6032002 0.75 MEN1 (0.60) KMT2AMAPTMEN1GAAALDH1A1
SCHEMBL124292 0.75 MEN1 (0.60) KMT2AMAPTMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6398962-B1 DISSOLVING A WATER-SOLUBLE POLYMER OR PORE FORMING AGENT AND A MATRIX AGENT IN A MEDIUM THAT PROMOTES THE HYDROLYSIS OF METALORGANIC COMPOUNDS TO FORM SILICON OXIDE SHAPED BODIES; SOLIDIFICATION AND ROASTING; FLUID FLOW MERCK KGAA (DE) 2002-06-04 US claimed
EP-0991940-B1 USE OF MONOLITHIC SORBENTS FOR PREPARATIVE CHROMATOGRAPHIC SEPARATION MERCK PATENT GMBH (DE) 2010-08-25 EP disclosed
EP-0971915-B1 METHOD FOR PREPARING 2-THIENYLETHYLAMINE DERIVATIVES SANOFI SYNTHELABO (FR) 2003-05-14 EP disclosed
US-6398962-B1 DISSOLVING A WATER-SOLUBLE POLYMER OR PORE FORMING AGENT AND A MATRIX AGENT IN A MEDIUM THAT PROMOTES THE HYDROLYSIS OF METALORGANIC COMPOUNDS TO FORM SILICON OXIDE SHAPED BODIES; SOLIDIFICATION AND ROASTING; FLUID FLOW MERCK KGAA (DE) 2002-06-04 US disclosed
US-6080875-A REACTING A THIENYLGLYCIDIC DERIVATIVE WITH A PHENYLGLYCINE ESTER IN THE PRESENCE OF AN ALKALI METAL BOROHYDRIDE, DECYCLIZATION; PREPARING DRUGS FOR TREATING ANTI-PLATELET AGGREGATION AND ANTITHROMBOTIC ACTIVITIES SANOFI-SYNTHELABO (FR) 2000-06-27 US disclosed
EP-0991940-A1 USE OF MONOLITHIC SORBENTS FOR PREPARATIVE CHROMATOGRAPHIC SEPARATION MERCK PATENT GmbH (DE) 2000-04-12 EP disclosed
EP-0971915-A1 METHOD FOR PREPARING 2-THIENYLETHYLAMINE DERIVATIVES SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998058253-A1 USE OF MONOLITHIC SORBENTS FOR PREPARATIVE CHROMATOGRAPHIC SEPARATION MERCK PATENT GMBH (DE) 1998-12-23 WO disclosed
WO-1998039322-A1 METHOD FOR PREPARING 2-THIENYLETHYLAMINE DERIVATIVES SANOFI-SYNTHELABO (FR) 1998-09-11 WO disclosed
US-4596820-A Antiischemic agents BASF AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed