SCHEMBL8348200

SCHEMBL8348200

O=C=Nc1ccc(O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
PTGS2 P35354 4/20 0.48
PTGS1 P23219 2/20 0.48
CYP3A4 P08684 2/20 0.48
TRPA1 O75762 2/20 0.48
TSHR P16473 1/20 0.45
KDM4E B2RXH2 5/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PDE4A P27815 1/20 0.41
BLVRB P30043 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 1/20 0.41
APP P05067 2/20 0.39
POLB P06746 4/20 0.37
BLM P54132 4/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37

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
SCHEMBL30932296 1.00 MAPK1 (0.52) MAPK1TDP1PTGS2PTGS1CYP3A4
SCHEMBL11191075 0.83 CYP3A4 (0.60) MAPK1TDP1PTGS2PTGS1CYP3A4
SCHEMBL14261703 0.81 CYP3A4 (0.58) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL14261701 0.81 CYP3A4 (0.63) MAPK1TDP1PTGS2PTGS1CYP3A4
SCHEMBL17655299 0.77 MAPK1 (0.43) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL10883032 0.75 MEN1 (0.59) MAPK1TDP1TSHRKDM4ERAB9A
SCHEMBL15430 0.74 CYP3A4 (0.70) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL4154539 0.74 TDP1 (0.41) MAPK1TDP1PTGS2PTGS1CYP3A4
SCHEMBL18163748 0.74 MPO (0.46) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL632310 0.73 CYP3A4 (0.56) MAPK1TDP1CYP3A4TRPA1TSHR

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
CN-118022073-A Anticoagulation coating, preparation method and application thereof and blood contact medical instrument 上海发微医用材料有限公司 2024-05-14 CN claimed
CN-118022073-A Anticoagulation coating, preparation method and application thereof and blood contact medical instrument 上海发微医用材料有限公司 2024-05-14 CN disclosed
EP-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
EP-2388263-A1 Imidazo[2,1-b]thiazole derivatives as sirtuin modulators Sirtris Pharmaceuticals, Inc. (US) 2011-11-23 EP disclosed
WO-2009088549-A2 METHODS OF INHIBITING BACTERIAL VIRULENCE AND COMPOUNDS RELATING THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-07-16 WO disclosed
WO-2009017848-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES SUCH AS SYSTEMIC AA AMYLOIDOSIS PROTEO TECH INC (US) 2009-04-30 WO disclosed
WO-2008154083-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES PROTEO TECH INC. (US) 2008-12-18 WO disclosed
WO-2008116145-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-25 WO disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO disclosed