SCHEMBL9756306

SCHEMBL9756306

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

nearest known ligand 0.42

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 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
S100B P04271 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CNR1 P21554 7/20 0.37
HSP90AA1 P07900 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34

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
Sulfuric Acid SCHEMBL10336892 0.89 S100B (0.43) CNR2MEN1KMT2AS100BL3MBTL1
SCHEMBL5595050 0.88 S100B (0.46) CNR2MEN1KMT2AS100BL3MBTL1
Hydrochloric Acid SCHEMBL10632080 0.86 S100B (0.45) CNR2MEN1KMT2AS100BL3MBTL1
Hydrochloric Acid SCHEMBL2141178 0.86 S100B (0.45) CNR2MEN1KMT2AS100BL3MBTL1
Methanesulfonamide SCHEMBL10596161 0.85 S100B (0.44) CNR2MEN1KMT2AS100BL3MBTL1
Sulfuric Acid SCHEMBL10605616 0.79 S100B (0.43) CNR2MEN1KMT2AS100BL3MBTL1
SCHEMBL6849091 0.78 S100B (0.46) CNR2MEN1KMT2AS100BL3MBTL1
SCHEMBL10713934 0.77 CNR2 (0.40) CNR2MEN1KMT2AS100BL3MBTL1
Sulfuric Acid SCHEMBL8632860 0.76 S100B (0.42) MEN1KMT2AS100BL3MBTL1MAPK1
SCHEMBL8633133 0.75 CNR2 (0.40) CNR2MEN1KMT2AS100BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281000-B1 MULTI-LAYER ANALYTICAL ELEMENT FOR CREATININE ANALYSIS KONICA CORPORATION (JP) 1991-10-16 EP disclosed
EP-0281000-A2 Multi-layer analytical element for creatinine analysis KONICA CORPORATION (JP) 1988-09-07 EP disclosed
US-4732736-A PEROXIDASE MATERIAL, HYDROGEN DONOR AND COUPLER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1988-03-22 US disclosed