Sulfuric Acid

Sulfuric Acid

SCHEMBL8930779

Cc1ccc([N+](=O)[O-])cc1[N+]#N.Cc1ccc([N+](=O)[O-])cc1[N+]#N.O=S(=O)([O-])[O-]

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

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
ALDH1A1 P00352 6/20 0.53
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
CYP3A4 P08684 3/20 0.49
PDE2A O00408 1/20 0.49
PDE5A O76074 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49
PDE4A P27815 1/20 0.49
BLM P54132 1/20 0.49
PDE1B Q01064 1/20 0.49
PMP22 Q01453 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE7A Q13946 1/20 0.49
PDE1C Q14123 1/20 0.49
PDE7B Q9NP56 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44

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 SCHEMBL8930788 0.94 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL28796478 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL6650087 0.93 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
Sulfuric Acid SCHEMBL8930784 0.92 ALDH1A1 (0.51) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL31125088 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL3401892 0.87 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL6650089 0.80 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A
Sulfuric Acid SCHEMBL11883875 0.79 TDP1 (0.49) ALDH1A1TSHRTDP1CYP3A4PDE2A
Trifluoromethanesulfonic Acid SCHEMBL11071045 0.78 ALDH1A1 (0.46) ALDH1A1TSHRTDP1CYP3A4PDE2A
SCHEMBL29954598 0.76 ALDH1A1 (0.60) ALDH1A1TSHRTDP1CYP3A4PDE2A

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
JP-9132549-A None JP disclosed
JP-H09132549-A PRODUCTION OF 2-METHYL-5-NITROPHENOL SUMIKA FINE CHEM KK 1997-05-20 JP disclosed