SCHEMBL27699703

SCHEMBL27699703

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
TDP1 Q9NUW8 3/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
TUBB1 Q9H4B7 2/20 0.49

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
SCHEMBL29453576 0.77 ALDH1A1 (0.59) ALDH1A1TDP1LMNAGAAHTT
SCHEMBL2211964 0.77 ALDH1A1 (0.59) ALDH1A1TDP1LMNAGAAHTT
SCHEMBL24749612 0.77 ALDH1A1 (0.45) ALDH1A1TDP1LMNAGAAHTT
SCHEMBL30768290 0.77 ALDH1A1 (0.45) ALDH1A1TDP1LMNAGAAHTT
Hydrochloric Acid SCHEMBL15486437 0.76 ALDH1A1 (0.58) ALDH1A1TDP1LMNAGAAHTT
SCHEMBL20328418 0.75 TDP1 (0.66) ALDH1A1TDP1LMNAHTTTUBB4A
SCHEMBL29351649 0.75 TDP1 (0.66) ALDH1A1TDP1LMNAHTTTUBB4A
SCHEMBL29650091 0.75 ALDH1A1 (0.61) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL20328412 0.75 TDP1 (0.66) ALDH1A1TDP1LMNAHTTTUBB4A
SCHEMBL397931 0.75 TDP1 (0.66) ALDH1A1TDP1LMNAHTTTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN claimed
CN-105452226-A Tetrahydro-and dihydro-isoquinoline PRMT5 inhibitors and uses thereof EPIZYME INC 2016-03-30 CN disclosed
CN-101346468-B amine-containing lipids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-30 CN disclosed
CN-105339351-A Arginine methyltransferase inhibitors and uses thereof EPIZYME INC 2016-02-17 CN disclosed
CN-105228997-A Carm1 inhibitors and uses thereof EPIZYME INC 2016-01-06 CN disclosed
CN-105189462-A Therapeutic compounds and uses thereof KALA PHARMACEUTICALS INC 2015-12-23 CN disclosed
CN-105131067-A RNA INTERFERENCE IN DERMAL AND FIBROTIC INDICATIONS RXI PHARMACEUTICALS CORP 2015-12-09 CN disclosed
CN-103214409-B The synthesis of tsiklomitsin and analogue thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-21 CN disclosed
CN-102164987-B Catalyst and process for synthesizing polymers NOVOMER INC 2015-07-08 CN disclosed
CN-104350055-A Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY SCIENCE TECH & RES (SG) 2015-02-11 CN disclosed
CN-104245794-A Alpha-aminoamidine polymers and their use MASSACHUSETTS INST TECHNOLOGY 2014-12-24 CN disclosed
CN-102209701-B Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2014-10-15 CN disclosed
CN-103380113-A Amine-containing transfection reagents and methods of making and using same LIFE TECHNOLOGIES CORP 2013-10-30 CN disclosed
CN-103224474-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-31 CN disclosed
CN-103214409-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-07-24 CN disclosed
CN-101027279-B Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE 2013-03-27 CN disclosed
CN-102164987-A Catalyst and process for synthesizing polymers NOVOMER INC 2011-08-24 CN disclosed
CN-101346468-A Amine-containing lipids and uses thereof MASSACHUSETTS INST TECHNOLOGY (US) 2009-01-14 CN disclosed
CN-101027279-A Synthesis of tetracyclines and analogues thereof HARVARD COLLEGE (US) 2007-08-29 CN disclosed