Sulfuric Acid

Sulfuric Acid

SCHEMBL10490490

CCCc1cccc2ccccc12.O=S(=O)(O)O

nearest known ligand 0.57

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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 11)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.57
MTNR1A P48039 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 1/20 0.47
ACP3 P15309 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
CDYL Q9Y232 1/20 0.46
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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 SCHEMBL7785118 0.90 NQO2 (0.54) NQO2MTNR1ATDP1CA2ACP3
Hydrogen Peroxide SCHEMBL18037715 0.89 TDP1 (0.55) NQO2MTNR1ATDP1ACP3CYP1A2
SCHEMBL66918 0.89 CYP1A2 (0.55) NQO2MTNR1ATDP1ACP3CYP1A2
Sulfuric Acid SCHEMBL1945293 0.88 NQO2 (0.53) NQO2MTNR1ATDP1CA2ACP3
Sulfuric Acid SCHEMBL3032458 0.88 NQO2 (0.53) NQO2MTNR1ATDP1CA2ACP3
Sulfuric Acid SCHEMBL375395 0.87 NQO2 (0.51) NQO2MTNR1A
Sulfuric Acid SCHEMBL9275748 0.87 NQO2 (0.51) NQO2MTNR1A
Sulfuric Acid SCHEMBL22229469 0.87 NQO2 (0.51) NQO2MTNR1A
SCHEMBL10624219 0.87 CYP1A2 (0.53) NQO2MTNR1ATDP1ACP3CYP1A2
SCHEMBL9014734 0.87 CYP1A2 (0.53) NQO2MTNR1ATDP1ACP3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886883-A HERBICIDES THE DOW CHEMICAL COMPANY (US) 1989-12-12 US disclosed