SCHEMBL2357453

SCHEMBL2357453

Cc1ccc(S(=O)(=O)O)cc1.O=C1CCC(=NO)c2ccccc21

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 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ KCNN4 O15554 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ CYP2C19 P33261 3/20 0.38

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
SCHEMBL10815369 0.88 ALDH1A1 (0.43) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL10968040 0.85 ALDH1A1 (0.51) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL10813242 0.85 ALDH1A1 (0.51) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL2353093 0.80 ALDH1A1 (0.62) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL2353532 0.76 MAPT (0.47) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL8825090 0.75 MEN1 (0.53) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL8477161 0.73 HTT (0.50) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
Cyclohexane SCHEMBL27563472 0.72 GAA (0.54) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
Cyclopropane SCHEMBL2101355 0.72 GAA (0.54) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL2591612 0.71 HPGD (0.56) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519972-B2 COMPOSITIONS FOR PRODUCING AMINOPLAST PRODUCTS AND METHOD FOR PRODUCING PRODUCTS FROM THESE COMPOSITIONS BOREALIS AGROLINZ MELAMINE (AT) 2011-08-24 — — EP disclosed
EP-1519972-B1 COMPOSITIONS FOR PRODUCING AMINOPLAST PRODUCTS AND METHOD FOR PRODUCING PRODUCTS FROM THESE COMPOSITIONS AMI AGROLINZ MELAMINE INT GMBH (AT) 2006-10-25 — — EP disclosed
EP-1519972-A1 COMPOSITIONS FOR PRODUCING AMINOPLAST PRODUCTS AND METHOD FOR PRODUCING PRODUCTS FROM THESE COMPOSITIONS AMI - Agrolinz Melamine International GmbH (AT) 2005-04-06 — — EP disclosed
EP-1517933-A1 METHOD FOR CURING AMINOPLASTS AMI - Agrolinz Melamine International GmbH (AT) 2005-03-30 — — EP disclosed
WO-2003106524-A1 COMPOSITIONS FOR PRODUCING AMINOPLAST PRODUCTS AND METHOD FOR PRODUCING PRODUCTS FROM THESE COMPOSITIONS AGROLINZ MELAMIN GMBH (AT) 2003-12-24 — — WO disclosed
WO-2003106525-A1 METHOD FOR CURING AMINOPLASTS AGROLINZ MELAMIN GMBH (AT) 2003-12-24 — — WO disclosed
EP-0139609-B1 PROCESS FOR CURING ACID-CURABLE LACQUERS CIBA-GEIGY AG (CH) 1987-02-04 — — EP disclosed
US-4540598-A LATENT OXIME SULFONATE CATALYSTS CIBA-GEIGY CORPORATION (US) 1985-09-10 — — US disclosed
EP-0139609-A1 Process for curing acid-curable lacquers CIBA-GEIGY AG (CH) 1985-05-02 — — EP disclosed
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