SCHEMBL487964

SCHEMBL487964

O=C(NCCN1CCOCC1)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.84
HPGD P15428 1/20 0.84
ALDH1A1 P00352 2/20 0.80
KDM4E B2RXH2 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
EPHX2 P34913 2/20 0.76
HTR1A P08908 1/20 0.74
MAOA P21397 1/20 0.74
MAOB P27338 1/20 0.74
KCNH2 Q12809 1/20 0.74
CYP2C19 P33261 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
HPGDS O60760 1/20 0.71
CYP2C9 P11712 1/20 0.67
KMT2A Q03164 1/20 0.66

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
SCHEMBL16462027 0.94 CD274 (0.76) CD274HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL8167646 0.92 CD274 (1.00) CD274HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL1382764 0.91 SMN1; SMN2 (0.95) CD274HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL4015612 0.89 EPHX2 (0.82) CD274HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL10722398 0.89 HPGD (0.67) CD274HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL3637852 0.88 CD274 (0.75) CD274HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL4488493 0.87 CD274 (0.77) CD274HPGDALDH1A1KDM4EEPHX2
SCHEMBL6569882 0.87 CD274 (0.77) CD274HPGDALDH1A1KDM4EEPHX2
SCHEMBL9253208 0.86 SMN1; SMN2 (0.78) CD274HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL16430973 0.86 POLB (0.87) CD274HPGDALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073725-A Pyrazolyl-ureas as kinase inhibitors RESPIVERT LTD 2015-11-18 CN claimed
EP-2885284-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS Respivert Limited (GB) 2015-06-24 EP claimed
WO-2014027209-A1 PYRAZOLYL-UREAS AS KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-02-20 WO claimed
JP-4695588-B2 2011-06-08 JP claimed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP claimed
JP-2006528597-A 2006-12-21 JP claimed
JP-2006519232-A 2006-08-24 JP claimed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP claimed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP claimed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO claimed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO claimed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed
JP-2002532415-A 2002-10-02 JP claimed
EP-1143957-A3 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-02-27 EP claimed
EP-1143957-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
EP-1140062-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000040235-A2 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-13 WO claimed
WO-2000035436-A2 TREATMENT OF ARTHRITIS WITH MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
WO-1998037881-A1 METHOD OF TREATING OR PREVENTING SEPTIC SHOCK BY ADMINISTERING A MEK INHIBITOR WARNER LAMBERT COMPANY (US) 1998-09-03 WO claimed