SCHEMBL5137804

SCHEMBL5137804

O=S(=O)([O-])c1cc(Br)c(Br)s1.O=S(=O)([O-])c1cc(Br)c(Br)s1.[Ca+2]

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP8 known ✓ P22894 2/20 0.33
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
P4HTM Q9NXG6 1/20 0.37
HTR7 P34969 1/20 0.36
PLAU P00749 1/20 0.35
GSK3B P49841 2/20 0.34
MMP3 P08254 1/20 0.33
DUT P33316 1/20 0.32

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
SCHEMBL5137447 0.96 LMNA (0.41) LMNAPOLBMAPTGAARAB9A
SCHEMBL5524092 0.77 CA2 (0.44) LMNAPOLBMAPTGAARAB9A
SCHEMBL630120 0.76 LMNA (0.41) LMNAPOLBMAPTGAARAB9A
SCHEMBL13450815 0.76 MAPT (0.41) LMNAPOLBMAPTGAARAB9A
SCHEMBL3193588 0.76 LMNA (0.41) LMNAPOLBMAPTGAARAB9A
SCHEMBL5137448 0.74 LMNA (0.41) LMNAPOLBMAPTGAARAB9A
SCHEMBL5137805 0.74 LMNA (0.41) LMNAPOLBMAPTGAARAB9A
SCHEMBL9353609 0.74 GAA (0.36) LMNAPOLBMAPTGAARAB9A
SCHEMBL14519876 0.71 HTR7 (0.40) LMNAPOLBMAPTGAARAB9A
SCHEMBL13211045 0.71 GAA (0.46) LMNAPOLBMAPTGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497374-B1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GEN ELECTRIC (US) 2008-08-13 EP disclosed
US-7244778-B2 Filler reinforced polyether imide resin composition and molded article thereof GENERAL ELECTRIC COMPANY (US) 2007-07-17 US disclosed
US-20050131105-A1 Filler reinforced polyether imide resin composition and molded article thereof SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2005-06-16 US disclosed
EP-1497374-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPANY (US) 2005-01-19 EP disclosed
WO-2003087226-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPAMY (US) 2003-10-23 WO disclosed