Sulfuric Acid

Sulfuric Acid

SCHEMBL5537630

C=CC(=O)Nc1ncc(NC(=O)C=C)c(NC(=O)C=C)n1.C=CC(=O)Nc1ncnc(NC(=O)C=C)c1NC(=O)C=C.O=S(=O)(O)O.O=S(=O)(O)O

nearest known ligand 0.37

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Known targets — ChEMBL curated mechanism

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

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 9)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 known ✓ Q02750 1/20 0.34
▸ MAPK3 P27361 15/20 0.37
▸ EGFR P00533 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ FGFR4 P22455 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ F13A1 P00488 1/20 0.35
▸ TGM2 P21980 1/20 0.35
▸ TGM1 P22735 1/20 0.35

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 SCHEMBL5244029 0.91 MAPK3 (0.41) MAPK3EGFRMAPK1ITKF13A1
Sulfuric Acid SCHEMBL4461982 0.89 MAPK3 (0.36) MAPK3EGFRMAPK1FGFR4ITK
Sulfuric Acid SCHEMBL4458775 0.85 EGFR (0.41) EGFRTGM2
Sulfuric Acid SCHEMBL5242393 0.78 TGM2 (0.37) EGFRITKF13A1TGM2TGM1
Pyrimidine SCHEMBL4456823 0.74 BTK (0.36) EGFRITKF13A1TGM2TGM1
Sulfuric Acid SCHEMBL5243123 0.67 NPC1 (0.44) EGFRITKF13A1TGM2TGM1
Sulfuric Acid SCHEMBL5425255 0.67 TGM2 (0.35) TGM2
Sulfuric Acid SCHEMBL4456717 0.65 JAK3 (0.33) MAPK3EGFRMAPK1FGFR4
SCHEMBL28209518 0.64 EGFR (0.39) MAPK3EGFRITKF13A1TGM2
SCHEMBL28564782 0.62 TGM2 (0.52) EGFRFGFR4ITKF13A1TGM2

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-20070265365-A1 Water Soluble Polymers Containing Vinyl Unsaturation, Their Crosslinking and Process for Preparation Thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-11-15 — — US claimed
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