SCHEMBL27703189

SCHEMBL27703189

COc1ccc([S+](N)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
TDP1 Q9NUW8 3/20 0.50
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48
TUBA1C Q9BQE3 2/20 0.48
TUBB6 Q9BUF5 2/20 0.48
TUBB2B Q9BVA1 2/20 0.48
TUBB1 Q9H4B7 2/20 0.48
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47

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
SCHEMBL18830795 0.84 ALDH1A1 (0.50) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL19182644 0.83 PDK1 (0.52) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL9808919 0.80 ALDH1A1 (0.54) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL9808915 0.78 PDGFRB (0.53) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL29453576 0.76 ALDH1A1 (0.59) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL2211964 0.76 ALDH1A1 (0.59) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL22137287 0.75 SIRT6 (0.54) ALDH1A1TDP1TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL15486437 0.75 ALDH1A1 (0.58) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL19145140 0.75 ALDH1A1 (0.55) ALDH1A1TDP1HTTLMNAGAA
SCHEMBL19956882 0.75 VCAM1 (0.53) ALDH1A1TDP1MAPTCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105492428-A Methods and compositions for treating beta-thalassemia and sickle cell disease ACADEMIA SINICA 2016-04-13 CN disclosed
CN-102256966-B Solubility mTOR mixture and its conditioning agent WHITEHEAD BIOMEDICAL INST (US) 2016-02-10 CN disclosed
CN-102459202-B As the inhibitor isoxazoline of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-11-25 CN disclosed
CN-105073768-A Ras inhibitors and uses thereof DANA FARBER CANCER INST INC 2015-11-18 CN disclosed
CN-104910025-A AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY 2015-09-16 CN disclosed
CN-104822837-A Process for large scale enzymatic synthesis of oligosaccharides ACADEMIA SINICA 2015-08-05 CN disclosed
CN-104710487-A Triterpene saponins, methods of synthesis, and uses thereof SLOAN KETTERING INST CANCER 2015-06-17 CN disclosed
CN-104718202-A Processes for the preparation of (S)-3-4-((4-(morpholinomethyl) benzyl)oxy)-1-oxoisoindolin-2-yl) piperidine-2,6-dione and pharmaceutically acceptable forms thereof CELGENE CORP 2015-06-17 CN disclosed
CN-102781909-B N-alkoxyamide conjugates as imaging agents LANTHEUS MEDICAL IMAGING INC 2015-06-17 CN disclosed
CN-104718193-A Compositions, methods, and systems for synthesis and use of contrast agents LANTHEUS MEDICAL IMAGING INC 2015-06-17 CN disclosed
CN-101730708-B Stitched polypeptides HARVARD COLLEGE 2013-09-18 CN disclosed
CN-103038240-A Synthetic method for preparing ecteinascidin compounds PHARMA MAR SA 2013-04-10 CN disclosed
CN-102459202-A Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2012-05-16 CN disclosed
CN-102256966-A Soluble mtor complexes and modulators thereof WHITEHEAD BIOMEDICAL INST 2011-11-23 CN disclosed
CN-102245559-A Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INST TECHNOLOGY 2011-11-16 CN disclosed
CN-102177152-A Halofuginone analogs for inhibition of tRNA synthetases and uses thereof HARVARD COLLEGE 2011-09-07 CN disclosed
CN-102112484-A Triterpenoid saponin, and synthesis method and application thereof SLOAN KETTERING INST CANCER 2011-06-29 CN disclosed
CN-101932592-A Antineoplastic compound PHARMA MAR SA 2010-12-29 CN disclosed
CN-101730708-A stitched polypeptides HARVARD COLLEGE 2010-06-09 CN disclosed
CN-101189229-A Synthesis of avrainvillamide, stephacidin B, and analogues thereof HARVARD COLLEGE (US) 2008-05-28 CN disclosed