SCHEMBL5252159

SCHEMBL5252159

C[n+]1ccccc1F.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP2D6 P10635 5/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 2/20 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
SCHEMBL8964185 0.94 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNAKDM4EMAPT
SCHEMBL103421 0.93 LMNA (0.49) SMN1; SMN2HTTLMNAKDM4EMAPT
SCHEMBL30099886 0.93 LMNA (0.49) SMN1; SMN2HTTLMNAKDM4EMAPT
SCHEMBL5430636 0.89 HTT (0.43) SMN1; SMN2HTTLMNAKDM4EMAPT
Methylene Chloride SCHEMBL2455819 0.87 LMNA (0.48) SMN1; SMN2HTTLMNAKDM4EMAPT
Toluene SCHEMBL6508366 0.81 LMNA (0.38) SMN1; SMN2HTTLMNAKDM4EALDH1A1
SCHEMBL18577930 0.78 LMNA (0.49) SMN1; SMN2HTTLMNAMAPTALDH1A1
SCHEMBL5762355 0.77 LMNA (0.51) SMN1; SMN2HTTLMNAKDM4EMAPT
SCHEMBL9355762 0.77 LMNA (0.41) SMN1; SMN2HTTLMNAALDH1A1TDP1
SCHEMBL28560059 0.77 HDAC8 (0.39) SMN1; SMN2HTTLMNAKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611871-B2 Star polymers and compositions thereof THE LUBRIZOL CORPORATION (US) 2020-04-07 US disclosed
US-20170058072-A1 STAR POLYMERS AND COMPOSITIONS THEREOF LUBRIZOL CORP (US) 2017-03-02 US disclosed
US-9522972-B2 Star polymers and compositions thereof THE LUBRIZOL CORPORATION (US) 2016-12-20 US disclosed
EP-1833868-B1 STAR POLYMERS AND COMPOSITIONS THEREOF LUBRIZOL CORP (US) 2013-04-17 EP disclosed
US-20070244018-A1 Star Polymers and Compositions Thereof THE LUBRIZOL CORPORATION 2007-10-18 US disclosed
EP-1833868-A2 STAR POLYMERS AND COMPOSITIONS THEREOF THE LUBRIZOL CORPORATION (US) 2007-09-19 EP disclosed
WO-2006047398-A2 STAR POLYMERS AND COMPOSITIONS THEREOF THE LUBRIZOL CORPORATION (US) 2006-05-04 WO disclosed