SCHEMBL1507901

SCHEMBL1507901

NC(=O)OC(S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SRC P12931 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
ALOX5 P09917 1/20 0.40
EPHX1 P07099 1/20 0.40
CTSD P07339 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 3/20 0.39
DRD3 P35462 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
EDNRB P24530 1/20 0.39
MC4R P32245 1/20 0.39
CYP2C19 P33261 1/20 0.39
MC3R P41968 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL4275339 0.82 CYP1A2 (0.32) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL9864225 0.80 CYP2D6 (0.46) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL16335334 0.79 ALDH1A1 (0.55) CYP2D6SRCLMNAMAPK1KMT2A
SCHEMBL5306707 0.78 CYP2D6 (0.52) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL1955 0.78 ESR1 (0.53) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL29816355 0.78 CYP2D6 (0.52) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL446690 0.77 CYP2D6 (0.50) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL9389474 0.77 ESR1 (0.52) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL2575993 0.77 CYP2D6 (0.50) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL264866 0.75 HCAR2 (0.58) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4003389-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING PEPTIDE NUCLEIC ACID-BASED AGENTS The Trustees Of Columbia University In The City Of New York (US) 2022-06-01 EP disclosed
WO-2021016361-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER USING PEPTIDE NUCLEIC ACID-BASED AGENTS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-01-28 WO disclosed
WO-2019018647-A1 ANTI-GD3 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES PFIZER INC. (US) 2019-01-24 WO disclosed
CN-106995493-A Catilan polypeptide and conjugate and its application 摩尔弗泰克有限公司 2017-08-01 CN disclosed
EP-3087182-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER USING PEPTIDE NUCLEIC ACID-BASED AGENTS Memorial Sloan Kettering Cancer Center (US) 2016-11-02 EP disclosed
CN-102844044-B Chlorotoxin polypeptides and conjugates and uses thereof 摩尔弗泰克有限公司 2016-10-26 CN disclosed
WO-2015100113-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER USING PEPTIDE NUCLEIC ACID-BASED AGENTS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2015-07-02 WO disclosed
WO-2013036755-A1 ETV1 ANTIBODIES AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-03-14 WO disclosed
WO-2013016662-A1 DIAGNOSIS AND TREATMENT OF PARKINSON'S DISEASE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2013-01-31 WO disclosed
EP-2300045-A1 TREATMENT OF METASTATIC TUMORS Transmolecular, Inc. (US) 2011-03-30 EP disclosed
WO-2009140599-A1 TREATMENT OF METASTATIC TUMORS TRANSMOLECULAR, INC. (US) 2009-11-19 WO disclosed
EP-0317956-A2 Anti-tumor prodrugs Bristol-Myers Squibb Company (US) 1989-05-31 EP disclosed