Sulfuric Acid

Sulfuric Acid

SCHEMBL29044697

CNCCNCCN.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
CA12 O43570 5/20 0.50
CA6 P23280 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA5B Q9Y2D0 5/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA5A P35218 4/20 0.50
LMNA P02545 3/20 0.50
CA3 P07451 3/20 0.50
ALOX15 P16050 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.46
RECQL P46063 2/20 0.46
KMT2A Q03164 2/20 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
Trientine SCHEMBL715994 0.88 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL17742235 0.85 CA12 (0.69) CA12CA6CA7CA9CA14
SCHEMBL1276538 0.85 CA12 (0.69) CA12CA6CA7CA9CA14
Sulfuric Acid SCHEMBL8393633 0.85 CA12 (0.62) CA12CA6CA7CA9CA14
SCHEMBL1273998 0.85 CA12 (0.69) CA12CA6CA7CA9CA14
SCHEMBL13663850 0.85 CA12 (0.69) CA12CA6CA7CA9CA14
SCHEMBL424117 0.85
Sulfuric Acid SCHEMBL29104260 0.83 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL28033923 0.83
Sulfuric Acid SCHEMBL11334847 0.83 CA12 (0.59) CA12CA6CA7CA9CA14

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-116535320-B Preparation method for green synthesis of polyquaternium by one-step method 中国石油大学(北京) 2025-04-01 CN disclosed
CN-116535320-A Preparation method for green synthesis of polyquaternium by one-step method 中国石油大学(北京) 2023-08-04 CN disclosed