SCHEMBL40342

SCHEMBL40342

O=C1OCCN1c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.35
PRKDC P78527 1/20 0.35
KDM4E B2RXH2 1/20 0.34
IDH1 O75874 3/20 0.33
PIM1 P11309 2/20 0.33
NAAA Q02083 7/20 0.33
FAAH O00519 4/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM1B Q8NB78 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31

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
SCHEMBL9489951 0.73 KDM4E (0.37) PRKDCKDM4EMAPTALDH1A1RAB9A
SCHEMBL297319 0.71 MEN1 (0.54) TNKSKDM4ENAAAFAAHMAPT
SCHEMBL39726 0.70 MAPT (0.49) PRKDCKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL27645807 0.69 TNKS (0.52) TNKSKDM4ENAAAFAAHMAPT
Hydrochloric Acid SCHEMBL30765001 0.69 TNKS (0.52) TNKSKDM4ENAAAFAAHMAPT
SCHEMBL13402978 0.69 ALDH1A1 (0.35) TNKSKDM4EIDH1NAAAMAPT
SCHEMBL39566 0.69 CNR1 (0.34) PRKDCMAPTALDH1A1SMN1; SMN2
SCHEMBL138181 0.67 KEAP1 (0.44) TNKSPRKDCKDM4ENAAAFAAH
SCHEMBL10764104 0.67 KMT2A (0.34) KDM4EMAPTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL29557633 0.67 KEAP1 (0.44) TNKSPRKDCKDM4ENAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US claimed
JP-9194482-A None JP disclosed
EP-3682947-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 GB006, Inc. (US) 2020-07-22 EP disclosed
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
CN-106038558-B Compounds and methods for modulating integrin CD11b/CD18 GB006公司 2020-01-10 CN disclosed
EP-3243821-A1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2017-11-15 EP disclosed
CN-106038558-A Compounds and methods for regulating integrin CD11B/CD18 阿德黑雷制药公司 2016-10-26 CN disclosed
CN-103189500-B Compounds and methods for modulating integrin CD11b/CD18 阿德黑雷制药公司 2016-06-15 CN disclosed
EP-2591092-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 Adhaere Pharamaceuticals, Inc. (US) 2013-05-15 EP disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US disclosed
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US disclosed
US-5827857-A BACTERICIDES AND MICROBIOCIDES; GRAMPOSITIVE BACTERIA, HEMOPHILUS INFLUENZA, ANAEROBIC MICROORGANISMS AND MYCOBACTERIA; LOW TOXICITY BAYER AKTIENGESELLSCHAFT (DE) 1998-10-27 US disclosed
CN-1161968-A Pyridine condensed thienyl- and furyl-oxazolidinone compounds BAYER AG (DE) 1997-10-15 CN disclosed
CN-1161968-A Pyridine condensed thienyl- and furyl-oxazolidinone compounds BAYER AG (DE) 1997-10-15 CN disclosed
CN-1161968-A Pyridine condensed thienyl- and furyl-oxazolidinone compounds BAYER AG (DE) 1997-10-15 CN disclosed
JP-H09194482-A PYRIDO-CONDENSED THIENYL-AND FURANYL-OXAZOLIDINONES BAYER AG 1997-07-29 JP disclosed
EP-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed
EP-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed
EP-0785200-A2 Pyridoannelated thienyl and furamyl-oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed