SCHEMBL4320604

SCHEMBL4320604

CNC(=O)Cc1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
MAPK10 P53779 2/20 0.55
ALOX12 P18054 1/20 0.55
ALDH1A1 P00352 4/20 0.53
HTT P42858 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL5742233 0.86 KDM4E (0.60) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL2605820 0.84 KMT2A (0.56) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL14543978 0.83 SMN1; SMN2 (0.59) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL7131019 0.81 KMT2A (0.58) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL10744953 0.81 ALDH1A1 (0.56) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL7046945 0.81 PTGS2 (0.57) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL2403269 0.81 KMT2A (0.71) KDM4ELMNASMN1; SMN2ALDH1A1HTT
SCHEMBL21101917 0.80 KDM4E (0.55) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL4965033 0.79 PTGS2 (0.55) KDM4ELMNASMN1; SMN2MAPK10ALOX12
SCHEMBL499116 0.79 GAA (0.61) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 WO disclosed
US-20070243255-A1 Multifunctional supramolecular hydrogels as biomaterials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2007-10-18 US disclosed
WO-2006067224-A2 SPIRO-BENZODIOXOLE AND SPIRO-BENZODIOXANE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS BIOVITRUM AB (PUBL) (SE) 2006-06-29 WO disclosed
EP-0903346-A1 SYDNONE IMINE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-03-24 EP disclosed
US-4851526-A ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC SCHERING A.G. (DE) 1989-07-25 US disclosed
EP-0306440-A2 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-08 EP disclosed