Sulfuric Acid

Sulfuric Acid

SCHEMBL4520732

COc1cc(CN2CCCOc3nccc(-c4ccccc4)c3C2)cc(OC)c1.O=S(=O)(O)O

nearest known ligand 0.42

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 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CLPP Q16740 2/20 0.37
MAPT P10636 2/20 0.37
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
DRD4 P21917 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PTGER2 P43116 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
Hydrochloric Acid SCHEMBL1832110 0.88 PTGER2 (0.42) KMT2AMEN1MAPTSIGMAR1TMEM97
Sulfuric Acid SCHEMBL4529922 0.88 CLPP (0.38) KMT2AMEN1CLPPMAPTMAPK1
Sulfuric Acid SCHEMBL4506000 0.85 GPBAR1 (0.48) KMT2AMEN1CLPP
Hydrochloric Acid SCHEMBL1837985 0.81 SIGMAR1 (0.49) KMT2AMEN1CLPPMAPTSIGMAR1
SCHEMBL1837176 0.78 PTGER2 (0.46) KMT2AMEN1MAPTMAPK1PTGER2
Hydrochloric Acid SCHEMBL1835350 0.77 SIGMAR1 (0.45) KMT2AMEN1CLPPMAPTSIGMAR1
SCHEMBL1839636 0.76 GPBAR1 (0.49) CLPP
SCHEMBL1838901 0.76 ADRB2 (0.56) KMT2AMEN1MAPTROCK2ROCK1
SCHEMBL1953143 0.75 MAPT (0.37) KMT2AMEN1MAPTLMNAPTGER2
Hydrochloric Acid SCHEMBL1833598 0.74 ALDH1A1 (0.40) KMT2AMEN1CLPPMAPTSIGMAR1

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-7625887-B2 Receptor agonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-01 US disclosed