Sulfuric Acid

Sulfuric Acid

SCHEMBL7863734

C1CNCCNCCNCCNCCNCCN1.O=S(=O)([O-])[O-].[Mn+2]

nearest known ligand 0.46

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Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

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
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
PDE4A P27815 1/20 0.46
KDR P35968 1/20 0.46
CXCR4 P61073 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRG2 P18507 1/20 0.35
NFKB1 P19838 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32

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 SCHEMBL7861471 1.00 HIF1A (0.46) HIF1AMAPTPDE4AKDRCXCR4
Sulfuric Acid SCHEMBL7861474 0.90 CXCR4 (0.56) HIF1AMAPTPDE4AKDRCXCR4
Sulfuric Acid SCHEMBL8204121 0.90 CXCR4 (0.56) HIF1AMAPTPDE4AKDRCXCR4
Sulfuric Acid SCHEMBL7861504 0.90 CXCR4 (0.56) HIF1AMAPTPDE4AKDRCXCR4
Sulfuric Acid SCHEMBL7862755 0.83 CXCR4 (0.56) HIF1AMAPTPDE4AKDRCXCR4
Sulfuric Acid SCHEMBL7864317 0.83 CXCR4 (0.56) HIF1AMAPTPDE4AKDRCXCR4
Sulfuric Acid SCHEMBL7856024 0.83 CXCR4 (0.56) HIF1AMAPTPDE4AKDRCXCR4
Sulfuric Acid SCHEMBL23830054 0.78
Sulfuric Acid SCHEMBL28204530 0.78 MEN1 (0.42) TSHR
Sulfuric Acid SCHEMBL6235045 0.74 MEN1 (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729938-B1 A method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2001-09-05 EP disclosed
US-6028193-A CATALYZING THE OXIDATION REACTION IN PRESENCE OF A TRANSITION METAL COMPLEX WHICH CONTAINS A CYCLIC POLYFUNCTIONAL AMINE COMPOUND HAVING AT LEAST THREE NITROGEN ATOMS IN THE RING FORMING MOLECULAR MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
US-5945572-A Method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS, INC. (JP) 1999-08-31 US disclosed
US-5847227-A Method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
EP-0729938-A2 A method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP disclosed