SCHEMBL5501337

SCHEMBL5501337

CCCCONCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
EPHX2 P34913 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
LTA4H P09960 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL22472264 0.94 EPHX2 (0.50) ALDH1A1HPGDEPHX2L3MBTL1TSHR
SCHEMBL28504289 0.94 EPHX2 (0.50) ALDH1A1HPGDEPHX2L3MBTL1TSHR
SCHEMBL8369238 0.94 EPHX2 (0.50) ALDH1A1HPGDEPHX2L3MBTL1TSHR
Acetic Acid SCHEMBL21980115 0.92 EPHX2 (0.53) ALDH1A1HPGDEPHX2L3MBTL1TSHR
SCHEMBL5506614 0.88 KDM4E (0.45) EPHX2MAPTMEN1LMNAKMT2A
SCHEMBL28279505 0.85 EPHX2 (0.57) EPHX2FAAH
SCHEMBL27315456 0.82 IDO1 (0.53) EPHX2MAPTLMNAGAASIGMAR1
SCHEMBL2911080 0.81 SIGMAR1 (0.56) ALDH1A1HPGDL3MBTL1TSHRMAPT
SCHEMBL27346264 0.81 CYP2D6 (0.47) ALDH1A1HPGDEPHX2L3MBTL1TSHR
SCHEMBL8827260 0.81 KCNH2 (0.50) ALDH1A1LMNAGAALTA4HSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020020064-A1 METHOD FOR SAFELY PREPARING PIMAVANSERIN AND TARTRATE SALT THEREOF USING TRIPHOSGENE 丽珠集团新北江制药股份有限公司 2020-01-30 WO disclosed
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN disclosed
CN-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 CN disclosed
CN-101031555-A Thiazole derivative capable of vap-1 inhibitory activity ASTELLAS PHARMA INC (JP) 2007-09-05 CN disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN disclosed
CN-1761655-A Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-19 CN disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed
US-5885548-A Multiply substituted DTPA derivatives and their metal complexes, and their metal complexes, pharmaceutical agents that contain these complexes, their use in diagnosis and therapy, as well as process for the production of pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5746995-A DTPA derivatives substituted in a novel way, their metal complexes, and their use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-05 US disclosed