Sulfuric Acid

Sulfuric Acid

SCHEMBL5811065

C#CCn1c(C)c(C)c2ccnc(OCc3ccc(F)cc3)c21.O=S(=O)(O)O

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

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
MAOB known ✓ P27338 4/20 0.31
MAOA known ✓ P21397 2/20 0.31
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
ACHE P22303 2/20 0.36
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
PTBP1 P26599 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM5A P29375 3/20 0.33
KDM5B Q9UGL1 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
MAPK14 Q16539 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
SCHEMBL5807346 0.97 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5806319 0.94 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5809238 0.93 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Phosphoric Acid SCHEMBL5806061 0.92 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Nitric Acid SCHEMBL5807165 0.90 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5806747 0.89 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Sulfuric Acid SCHEMBL5809225 0.86 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Sulfuric Acid SCHEMBL5810887 0.86 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Sulfuric Acid SCHEMBL5806215 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Sulfuric Acid SCHEMBL5811497 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
WO-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed