Sulfuric Acid

Sulfuric Acid

SCHEMBL9680107

CCN(CCO)c1cccc(C)c1N.O=S(=O)(O)O

nearest known ligand 0.38

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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
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PABPC1 P11940 1/20 0.38
ESR1 P03372 6/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
CD44 P16070 1/20 0.33
S1PR1 P21453 1/20 0.33
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 2/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
STK4 Q13043 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
SCHEMBL10587657 0.93 CD44 (0.38) MEN1KMT2APABPC1ALDH1A1MAPT
Sulfuric Acid SCHEMBL9555436 0.90 CD44 (0.38) MEN1KMT2AESR1ALDH1A1MAPT
Sulfuric Acid SCHEMBL9134499 0.85 KMT2A (0.42) MEN1KMT2APABPC1ESR1ALDH1A1
Sulfuric Acid SCHEMBL8624039 0.83 MEN1 (0.38) MEN1KMT2APABPC1ESR1ALDH1A1
Sulfuric Acid SCHEMBL6006308 0.83 ALDH1A1 (0.34) ESR1ALDH1A1
Sulfuric Acid SCHEMBL6705370 0.82 NR3C1 (0.34) ESR1ALDH1A1
SCHEMBL5708973 0.79 CD44 (0.46) ALDH1A1MAPTGAARECQLCD44
SCHEMBL8746609 0.78 ALDH1A1 (0.36) ALDH1A1PKM
Sulfuric Acid SCHEMBL6566761 0.77 GAA (0.38) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8048472 0.76 CYP3A4 (0.42) MEN1KMT2APABPC1ESR1ALDH1A1

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
EP-0485423-A1 PYRAZOLO(1,5-a)BENZIMIDAZOLE COUPLERS. KODAK LTD (GB) 1992-05-20 EP disclosed