SCHEMBL3787432

SCHEMBL3787432

CC(C)OC(=O)/N=N/C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HCAR2 Q8TDS4 1/20 0.38
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30
CA14 Q9ULX7 3/20 0.30
LMNA P02545 2/20 0.30

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
SCHEMBL23884961 1.00 TSHR (0.42) TSHRHCAR2GAASMN1; SMN2PDCD1
SCHEMBL25204408 1.00 TSHR (0.42) TSHRHCAR2GAASMN1; SMN2PDCD1
SCHEMBL187423 1.00 TSHR (0.42) TSHRHCAR2GAASMN1; SMN2PDCD1
Hydrogen Peroxide SCHEMBL27935318 0.92 TSHR (0.48) TSHRHCAR2GAASMN1; SMN2PDCD1
SCHEMBL27539518 0.89 TSHR (0.50) TSHRHCAR2PDCD1CD274CA12
SCHEMBL19257 0.89 TSHR (0.50) TSHRHCAR2PDCD1CD274CA12
SCHEMBL444245 0.89 TSHR (0.50) TSHRHCAR2PDCD1CD274CA12
SCHEMBL19256 0.89 TSHR (0.50) TSHRHCAR2PDCD1CD274CA12
Bicarbonate SCHEMBL2348361 0.87 TSHR (0.43) TSHRHCAR2PDCD1CD274CA12
Benzene SCHEMBL27815751 0.87 TSHR (0.43) TSHRHCAR2GAASMN1; SMN2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317793-A Methods for treating brain tumors and neuroblastomas 阿斯利康(瑞典)有限公司 2024-07-09 CN disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
CN-111712492-B Cyclotriazoles as LPA antagonists 百时美施贵宝公司 2024-05-31 CN disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 EP disclosed
CN-117881402-A Nucleotide and nucleoside therapeutic compositions, combinations, and uses related thereto 埃默里大学 2024-04-12 CN disclosed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed
WO-2024031081-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-02-08 WO disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
CN-117279632-A TAAR1 and serotonin modulators, pharmaceutical compositions thereof, and methods of use 赛诺维信制药公司 2023-12-22 CN disclosed
CN-110225904-B Process for preparing cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-10-27 CN disclosed
WO-2019195739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR ABELA ALEXANDER RUSSELL (US) 2019-10-10 WO disclosed
WO-2019113476-A2 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-06-13 WO disclosed
WO-2019018395-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-01-24 WO disclosed
WO-2018160824-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) PRELUDE THERAPEUTICS, INCORPORATED (US) 2018-09-07 WO disclosed
WO-2018107100-A1 MODULATOR OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 EP disclosed
CN-102918027-A Modulators of the gpr119 receptor and the treatment of disorders related thereto ARENA PHARM INC 2013-02-06 CN disclosed
WO-2012093169-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-07-12 WO disclosed
EP-2231655-A2 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATI VES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2010-09-29 EP disclosed
WO-2009064747-A2 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATI VES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-05-22 WO disclosed