SCHEMBL8098717

SCHEMBL8098717

CCN(CCCO)c1ccc(N)c(C)c1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.51

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
S100B P04271 1/20 0.51
CNR2 P34972 11/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
CNR1 P21554 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
DNMT1 P26358 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL8590537 1.00 S100B (0.51) S100BCNR2KDM4EALDH1A1HPGD
SCHEMBL8593537 0.97 S100B (0.50) S100BCNR2KDM4EALDH1A1HPGD
SCHEMBL10573626 0.93 S100B (0.54) S100BCNR2KDM4EALDH1A1HPGD
Sulfuric Acid SCHEMBL8822541 0.89 S100B (0.60) S100BKDM4EALDH1A1HPGDGAA
SCHEMBL8011679 0.88 S100B (0.48) S100BCNR2KDM4EALDH1A1HPGD
SCHEMBL8633133 0.87 CNR2 (0.40) S100BCNR2KDM4EALDH1A1HPGD
Sulfuric Acid SCHEMBL8647343 0.86 S100B (0.59) S100BCNR2KDM4EALDH1A1HPGD
SCHEMBL2137159 0.85 S100B (0.50) S100BCNR2ALDH1A1MAPTHTT
SCHEMBL7719548 0.85 S100B (0.50) S100BCNR2ALDH1A1MAPTHTT
SCHEMBL1537895 0.85 S100B (0.70) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568777-A1 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1993-11-10 EP claimed
EP-0553622-B1 Silver halide photographic light-sensitive material KONISHIROKU PHOTO IND (JP) 2000-12-13 EP disclosed
US-5576161-A POLYHYDRIC ALCOHOL KONICA CORPORATION (JP) 1996-11-19 US disclosed
EP-0697625-A2 Silver halide light-sensitive photographic material and method of processing thereof KONICA CORPORATION (JP) 1996-02-21 EP disclosed
EP-0554027-B1 Silver halide photographic light sensitive material and its processing method KONISHIROKU PHOTO IND (JP) 1995-12-20 EP disclosed
US-5362626-A Support, silver chlorobromide emulsion layer with grains at least 95 mol % silver chloride, gelatin with 0.5-5 ppm iron ion and at least 40 % by weight of alpha-constituent having weight-average molecular weight of 80,000-120,000 KONICA CORPORATION (JP) 1994-11-08 US disclosed
US-5356760-A Silver chlorobromide emulsion containing resorcinol-based or aminophenol-based coupler, gelatin in specifed coating weight, on support KONICA CORPORATION (JP) 1994-10-18 US disclosed
EP-0593180-A1 A silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1994-04-20 EP disclosed
EP-0568777-A1 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1993-11-10 EP disclosed
EP-0553622-A1 Silver halide photographic light-sensitive material KONICA CORPORATION (JP) 1993-08-04 EP disclosed
EP-0554027-A1 Silver halide photographic light sensitive material and its processing method KONICA CORPORATION (JP) 1993-08-04 EP disclosed