SCHEMBL2361735

SCHEMBL2361735

COc1[c]c(OC)cc(C(=O)CBr)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.52
PTPN1 P18031 6/20 0.41
HPGDS O60760 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.33

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
SCHEMBL21373264 0.77 GSK3B (0.52) GSK3BPTPN1ALDH1A1
SCHEMBL503143 0.77 MEN1 (0.58) GSK3BALDH1A1KDM4EMEN1KMT2A
SCHEMBL333513 0.76 GSK3B (0.66) GSK3BPTPN1ALDH1A1KDM4EKMT2A
SCHEMBL2382429 0.76 GSK3B (0.50) GSK3BPTPN1HPGDSALDH1A1KDM4E
SCHEMBL2362652 0.75 LMNA (0.52) ALDH1A1MEN1KMT2A
SCHEMBL6543881 0.73 GSK3B (0.59) GSK3BPTPN1
SCHEMBL12418371 0.73 MEN1 (0.56) GSK3BPTPN1HPGDSALDH1A1KDM4E
SCHEMBL11162299 0.73 PKM (0.60) GSK3BPTPN1HPGDSALDH1A1KDM4E
SCHEMBL27213976 0.73 ALDH1A1 (0.58) GSK3BPTPN1ALDH1A1KDM4E
SCHEMBL2390640 0.73 GSK3B (0.52) GSK3BPTPN1HPGDSALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675836-B1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY IPSEN PHARMA (FR) 2016-04-13 EP disclosed
EP-1589007-B1 5-membered heterocycle derivatives, production thereof and their use as medicaments IPSEN PHARMA (FR) 2015-06-03 EP disclosed
EP-1228760-B1 5-membered heterocycle derivatives, production thereof and use thereof as medicaments IPSEN PHARMA (FR) 2011-08-31 EP disclosed
EP-1675836-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-07-05 EP disclosed
EP-1589007-A2 5-membered heterocycle derivatives, production thereof and their use as medicaments Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2005-10-26 EP disclosed
WO-2005035510-A1 DERIVATIVES OF 4-PHENYLTHIAZOLES AND 4-PHENYLIMIDAZOLES AND THE USE THEREOF AS MEDICAMENTS FOR TREATING NEURODEGENERATIVE DISEASES, PAIN AND EPILEPSY SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-04-21 WO disclosed
EP-1228760-A2 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-08-07 EP disclosed
EP-1223933-A2 5-MEMBERED HETEROCYCLE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-24 EP disclosed
WO-2001026656-A2 5-MEMBERED HETEROCYCLE DERIVATIVES AND USE THEREOF AS MONOAMINE OXIDASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-04-19 WO disclosed