SCHEMBL5082308

SCHEMBL5082308

O=C(c1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[O-])c1.O=C(c1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[O-])c1.[Ca+2]

nearest known ligand 0.54

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 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.48
SRD5A2 P31213 3/20 0.46
MAPK1 P28482 2/20 0.46
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
VCAM1 P19320 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGA1 P56199 1/20 0.42
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL5082265 0.98 MMP2 (0.49) MMP2SRD5A2MAPK1FLT1FLT4
SCHEMBL4365595 0.90 MMP2 (0.49) MMP2SRD5A2VCAM1KMT2ASMN1; SMN2
Potassium Ion SCHEMBL4535868 0.90 MMP2 (0.49) MMP2SRD5A2VCAM1KMT2ASMN1; SMN2
Potassium Ion SCHEMBL11586061 0.86 VCAM1 (0.54) MMP2SRD5A2VCAM1KMT2AITGA1
SCHEMBL250228 0.83 MMP2 (0.50) MMP2SRD5A2MAPK1FLT1FLT4
SCHEMBL5082310 0.82 MMP2 (0.49) MMP2SRD5A2MAPK1FLT1FLT4
SCHEMBL5082270 0.82 MMP2 (0.49) MMP2SRD5A2MAPK1FLT1FLT4
SCHEMBL5078513 0.79 MCL1 (0.52) MAPK1HTTHPGD
SCHEMBL31134782 0.79 MCL1 (0.52) MAPK1HTTHPGD
SCHEMBL941907 0.78 MMP2 (0.63) MMP2CA1CA2

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