Sulfuric Acid

Sulfuric Acid

SCHEMBL3645950

NCOc1ccc(NCCO)cc1.O=S(=O)(O)O

nearest known ligand 0.40

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Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO

The experimentally established mechanism targets of Sulfuric Acid. 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 6/20 0.40
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA5A P35218 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL3477452 0.92 GAA (0.44) ALDH1A1GAAMAPTKDM4EMEN1
Sulfuric Acid SCHEMBL30019534 0.82 CA12 (0.43) ALDH1A1GAAMAPTKDM4EMEN1
Sulfuric Acid SCHEMBL10875748 0.80 AGXT (0.45) ALDH1A1MAPTKDM4ECA12CA1
Sulfuric Acid SCHEMBL28117445 0.80 GAA (0.63) ALDH1A1GAAMAPTKDM4EMEN1
Sulfuric Acid SCHEMBL672184 0.78 APP (0.42) ALDH1A1MAPTCA12CA1CA2
Sulfuric Acid SCHEMBL28619661 0.76 APP (0.41) ALDH1A1MAPTCA12CA1CA2
SCHEMBL10700693 0.75 ALDH1A1 (0.52) ALDH1A1GAAMAPTMEN1KMT2A
Sulfuric Acid SCHEMBL28952576 0.75 CA2 (0.59) KMT2ACA12CA1CA2CA9
SCHEMBL22499933 0.74 GAA (0.62) ALDH1A1GAAMAPTMEN1KMT2A
Sulfuric Acid SCHEMBL2484445 0.73 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EAPAF1

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-1870135-A2 Brightening and/or dyeing agent with acetamidines Henkel Kommanditgesellschaft auf Aktien (DE) 2007-12-26 EP claimed
EP-2173314-A2 VAPORIZER SOLUTION, AND DYEING METHOD Henkel AG & Co. KGaA (DE) 2010-04-14 EP disclosed
WO-2009019049-A2 VAPORIZER SOLUTION, AND DYEING METHOD HENKEL AG & CO. KGAA (DE) 2009-02-12 WO disclosed