SCHEMBL835944

SCHEMBL835944

O=[N+]([O-])c1cccc2c[c][nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 3/20 0.53
APEX1 P27695 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NOS1 P29475 2/20 0.53
NOS2 P35228 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
NOS3 P29474 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL259909 0.72 TDP1 (0.54) MAPTTDP1TSHRAPEX1SMN1; SMN2
SCHEMBL27809787 0.71 GRIN2D (0.49) MAPTTDP1TSHRSMN1; SMN2KDM4E
SCHEMBL647821 0.70 TDP1 (0.55) MAPTTDP1TSHRSMN1; SMN2KDM4E
SCHEMBL28592519 0.69 APEX1 (0.62) MAPTTDP1TSHRAPEX1SMN1; SMN2
SCHEMBL7090153 0.69 APEX1 (0.62) MAPTTDP1TSHRAPEX1SMN1; SMN2
7-Nitroindazole SCHEMBL216995 0.69 NOS1 (1.00) MAPTTDP1TSHRAPEX1SMN1; SMN2
SCHEMBL3224253 0.69 APEX1 (0.54) MAPTTDP1TSHRAPEX1SMN1; SMN2
SCHEMBL16289562 0.69 ALDH1A1 (0.47) MAPTTDP1TSHRAPEX1SMN1; SMN2
SCHEMBL28798246 0.69 APEX1 (0.62) MAPTTDP1TSHRAPEX1SMN1; SMN2
SCHEMBL187697 0.69 ALDH1A1 (0.61) MAPTTDP1TSHRAPEX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200256858-A1 Modifiable Chemical Inducers of Proximity and Methods of Using the Same TAKARA BIO USA, INC. 2020-08-13 US claimed
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US claimed
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP claimed
US-20230227889-A1 Multiplex Preparation of Barcoded Gene Specific DNA Fragments CELLECTA, INC. 2023-07-20 US disclosed
US-20230054869-A1 Methods and Compositions Employing Blocked Primers TAKARA BIO USA, INC. 2023-02-23 US disclosed
EP-4127221-A1 SINGLE CELL GENETIC ANALYSIS Cellecta, Inc. (US) 2023-02-08 EP disclosed
US-11371087-B2 Methods and compositions employing blocked primers TAKARA BIO USA, INC. (US) 2022-06-28 US disclosed
US-20220195493-A1 Multiplex Preparation of Barcoded Gene Specific DNA Fragments CELLECTA, INC. 2022-06-23 US disclosed
US-20220145285-A1 Compartment-Free Single Cell Genetic Analysis CELLECTA, INC. 2022-05-12 US disclosed
EP-3971169-A1 METHOD FOR PRODUCING, IN A CELL, A PROTEIN OR A POLYPEPTIDE COMPRISING A TETRAZINE AMINO ACID Oregon State University (US) 2022-03-23 EP disclosed
US-11274334-B2 Multiplex preparation of barcoded gene specific DNA fragments CELLECTA, INC. (US) 2022-03-15 US disclosed
WO-1999025752-A1 FUNCTIONALIZED RESIN FOR THE SYNTHESIS OF AMIDES AND PEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-05-27 WO disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed
US-5883247-A ACYLATION WITH AMINOTHIAZOLE DERIVATIVE ACTIVATED AS MIXED ANHYDRIDE OF THIOPHOSPHORIC ACID HOFFMANN-LA ROCHE INC. (US) 1999-03-16 US disclosed
WO-1998017678-A1 ANTITHROMBOTIC AZACYCLOALKYLALKANOYL PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-04-30 WO disclosed
WO-1998007696-A1 STABLE NON-HYGROSCOPIC CRYSTALLINE FORM OF N-[N-N-(4-(PIPERIDIN-4-YL)BUTANOYL)-N-ETHYLGLYCYL] COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-26 WO disclosed
US-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed