SCHEMBL755699

SCHEMBL755699

COc1cccc(OC(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NNMT P40261 1/20 0.42
BTK Q06187 1/20 0.41
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 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
SCHEMBL377165 0.89 KDM4E (0.44) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL28819041 0.86 TDP1 (0.46) TDP1POLBKDM4EALDH1A1NNMT
SCHEMBL6223869 0.84 KDM4E (0.44) TDP1KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL160602 0.82 BTK (0.47) TDP1POLBKDM4EALDH1A1BTK
SCHEMBL248107 0.82 HTR7 (0.42) TDP1KDM4EALDH1A1LMNA
SCHEMBL3647432 0.82 RAB9A (0.44) KDM4EALDH1A1
SCHEMBL186848 0.79 KDM4E (0.37) TDP1KDM4EALDH1A1CA12CA1
SCHEMBL18952326 0.79 MAPK8 (0.57) KDM4EALDH1A1BTK
SCHEMBL18952265 0.79 ADORA2A (0.39) TDP1KDM4EALDH1A1LMNA
SCHEMBL2780205 0.78 ASIC3 (0.39) TDP1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552918-B1 N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS HOFFMANN LA ROCHE (CH) 2014-06-11 EP claimed
EP-3638675-B1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AG (DE) 2024-04-17 EP disclosed
EP-3386979-B1 2-PHENYL-3-(PIPERAZINOMETHYL)IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS BLOCKERS OF THE TASK-1 AND TASK-2 CHANNELS FOR TREATING SLEEP-RELATED BREATHING DISORDERS Bayer Pharma AG (DE) 2020-07-29 EP disclosed
EP-3638675-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS Bayer AG (DE) 2020-04-22 EP disclosed
EP-3487856-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE Bayer Aktiengesellschaft (DE) 2019-05-29 EP disclosed
WO-2018228907-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2018-12-20 WO disclosed
EP-3386993-A1 SUBSTITUTED PERHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND THE USE OF SAME Bayer Pharma Aktiengesellschaft (DE) 2018-10-17 EP disclosed
EP-3386979-A1 2-PHENYL-3-(PIPERAZINOMETHYL)IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS BLOCKERS OF TASK-1 AND TASK-2 CHANNELS, FOR THE TREATMENT OF SLEEP-RELATED BREATHING DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2018-10-17 EP disclosed
EP-3083586-B1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma AG (DE) 2018-04-18 EP disclosed
WO-2018015196-A1 SUBSTITUTED DIAZAHETERO-BICYCLIC COMPOUNDS AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 2018-01-25 WO disclosed
WO-2017097671-A1 SUBSTITUTED PERHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND THE USE OF SAME BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-15 WO disclosed
WO-2017097792-A1 2-PHENYL-3-(PIPERAZINOMETHYL)IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS BLOCKERS OF TASK-1 AND TASK-2 CHANNELS, FOR THE TREATMENT OF SLEEP-RELATED BREATHING DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-15 WO disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO disclosed