Sulfuric Acid

Sulfuric Acid

SCHEMBL28375810

COc1ccc(NNF)cc1.O=S(=O)(O)O

nearest known ligand 0.50

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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
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
IDO1 P14902 2/20 0.48
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 3/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46

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
SCHEMBL8581249 0.88 GAA (0.58) CA1CA2NPC1RAB9ASMN1; SMN2
Bromide SCHEMBL28378533 0.86 GAA (0.56) CA1CA2NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11595275 0.86 GAA (0.56) CA1CA2NPC1RAB9ASMN1; SMN2
Phosphoric Acid SCHEMBL28375393 0.85 PTGS2 (0.50) CA1CA2NPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL28373399 0.85 PTGS2 (0.54) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL7258878 0.83 IDO1 (0.57) CA1CA2NPC1RAB9ASMN1; SMN2
Sulfuric Acid SCHEMBL28375422 0.81 CA1 (0.50) CA1CA2NPC1RAB9ASMN1; SMN2
Sulfuric Acid SCHEMBL28200877 0.81 CA1 (0.50) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL11467765 0.81 IDO1 (0.55) CA1CA2NPC1RAB9ASMN1; SMN2
Water SCHEMBL11860007 0.80 IDO1 (0.54) CA1CA2NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN claimed
CN-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN disclosed