SCHEMBL8633133

SCHEMBL8633133

CCc1cc(N(CC)CCCCO)ccc1N.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.40

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
CNR2 P34972 13/20 0.40
S100B P04271 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
CNR1 P21554 5/20 0.36
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL8593537 0.90 S100B (0.50) CNR2S100BKDM4EALDH1A1GAA
SCHEMBL8098717 0.87 S100B (0.51) CNR2S100BKDM4EALDH1A1GAA
SCHEMBL8590537 0.87 S100B (0.51) CNR2S100BKDM4EALDH1A1GAA
SCHEMBL5491814 0.82 S100B (0.46) S100BKDM4EALDH1A1GAAMAPT
SCHEMBL10573626 0.82 S100B (0.54) CNR2S100BKDM4EALDH1A1GAA
Sulfuric Acid SCHEMBL8050521 0.80 S100B (0.44) S100BKDM4EALDH1A1GAAMAPT
Sulfuric Acid SCHEMBL10709596 0.80 S100B (0.44) S100BKDM4EALDH1A1GAAMAPT
Sulfuric Acid SCHEMBL8647343 0.79 S100B (0.59) CNR2S100BKDM4EALDH1A1MAPT
SCHEMBL8373940 0.79 S100B (0.47) CNR2S100BKDM4EALDH1A1GAA
SCHEMBL8061571 0.77 S100B (0.49) S100BKDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565023-B1 Method for processing silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1998-07-01 EP disclosed
EP-0565023-A1 Method for processing silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1993-10-13 EP disclosed