Sulfuric Acid

Sulfuric Acid

SCHEMBL7059889

CCOC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.O=S(=O)(O)O

nearest known ligand 0.41

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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 20)

geneUniProtsupporting neighboursconfidence
SCN9A known ✓ Q15858 1/20 0.36
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS1 P23219 2/20 0.38
ALOX5 P09917 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4B Q07343 1/20 0.38
HSD11B1 P28845 1/20 0.37
PTGS2 P35354 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
OPRL1 P41146 1/20 0.37
TGFBR1 P36897 1/20 0.37
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1680138 0.96 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1762653 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2APDE4B
SCHEMBL354326 0.83 KDM4E (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL1762446 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTL3MBTL1PDE4B
SCHEMBL951462 0.82 SMN1; SMN2 (0.52) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL29558577 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTL3MBTL1PDE4B
SCHEMBL950958 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL29860005 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL24947591 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APDE4B
SCHEMBL30206585 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2APDE4B

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
EP-1427285-A1 ANTHRANILAMIDE ARTHROPODICIDE TREATMENT E. I. du Pont de Nemours and Company (US) 2004-06-16 EP disclosed
WO-2003024222-A1 ANTHRANILAMIDE ARTHROPODICIDE TREATMENT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-03-27 WO disclosed