SCHEMBL5167637

SCHEMBL5167637

NCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].NCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].[Ca+2]

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
CYP3A4 P08684 4/20 0.39
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HRH1 P35367 4/20 0.38
MGLL Q99685 1/20 0.37
TP53 P04637 3/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
THPO P40225 1/20 0.35

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
Potassium Ion SCHEMBL38561 0.90 HTR6 (0.36) MAOACYP3A4SCN1ASCN2ASCN3A
Ethylenediamine SCHEMBL408137 0.84 LIPG (0.47) LIPGTLR8
Ethylenediamine SCHEMBL30441324 0.84 LIPG (0.47) LIPGTLR8
SCHEMBL2695711 0.83 LIPG (0.53) LIPGTHRB
SCHEMBL8745299 0.83 MGLL (0.41) MGLLLIPG
SCHEMBL2855251 0.83 LIPG (0.53) LIPGTHRB
SCHEMBL4135127 0.83 LIPG (0.53) LIPGTHRB
SCHEMBL6301417 0.83 LIPG (0.53) LIPGTHRB
SCHEMBL2233360 0.83 LIPG (0.53) LIPGTHRB
SCHEMBL10824045 0.83 LIPG (0.53) LIPGTHRB

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-1773916-B1 PROCESS FOR PREPARATION OF FUNCTIONALIZED POLYIMIDES SABIC INNOVATIVE PLASTICS IP (NL) 2014-02-12 EP disclosed
EP-1773916-A1 PROCESS FOR PREPARATION OF FUNCTIONALIZED POLYIMIDES The General Electric Company (US) 2007-04-18 EP disclosed
US-7148314-B2 Process for preparation of functionalized polyimides GENERAL ELECTRIC COMPANY (US) 2006-12-12 US disclosed
WO-2006014448-A1 PROCESS FOR PREPARATION OF FUNCTIONALIZED POLYIMIDES GENERAL ELECTRIC COMPANY (US) 2006-02-09 WO disclosed
US-20060009613-A1 Process for preparation of of functionalized polyimides GENERAL ELECTRIC COMPANY 2006-01-12 US disclosed