SCHEMBL835945

SCHEMBL835945

O=[N+]([O-])c1cccc2[c]c[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 3/20 0.44
APEX1 P27695 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NOS1 P29475 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
NOS3 P29474 1/20 0.44
CYP2C19 P33261 1/20 0.44
NOS2 P35228 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL28680248 0.72 ERN1 (0.38) MAPTTSHRKDM4EMEN1CYP1A2
SCHEMBL647822 0.71 TDP1 (0.44) TDP1MAPTTSHRAPEX1SMN1; SMN2
SCHEMBL11838471 0.68 TDP1 (0.48) TDP1TSHRSMN1; SMN2HSD17B10MEN1
SCHEMBL4478128 0.67 AHR (0.42) TSHRNOS1CYP1A2
SCHEMBL7279169 0.67 GABRA1 (0.39) MAPTTSHRMEN1KMT2ANPC1
SCHEMBL259909 0.67 TDP1 (0.54) TDP1MAPTTSHRAPEX1SMN1; SMN2
SCHEMBL16289391 0.66 TDP1 (0.45) TDP1MAPTTSHRSMN1; SMN2HSD17B10
SCHEMBL386455 0.66 TDP1 (0.61) TDP1MAPTTSHRSMN1; SMN2HSD17B10
SCHEMBL835944 0.66 MAPT (0.53) TDP1MAPTTSHRAPEX1SMN1; SMN2
SCHEMBL3056048 0.65 TRIM24 (0.57) TDP1MAPTSMN1; SMN2MEN1CYP1A2

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 101 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-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
US-20210301329-A1 Single Cell Genetic Analysis CELLECTA, INC. 2021-09-30 US disclosed
EP-0004466-B1 DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM Takeda Chemical Industries, Ltd. (JP) 1982-01-27 EP disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
US-4260608-A ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 US disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
US-4248870-A MICROBIOCIDES, ANTITUMOR AGENTS, AND ANTIMITOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-03 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0010735-A1 Maytansinoids, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-14 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed