Sulfuric Acid

Sulfuric Acid

SCHEMBL8058531

NN=CNC(N)=O.O=S(=O)(O)O

nearest known ligand 0.39

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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 17)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 1/20 0.30
MAOB known ✓ P27338 1/20 0.30
BLM P54132 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PMP22 Q01453 2/20 0.31
ALOX15 P16050 1/20 0.31
CPB1 P15086 1/20 0.31
TSHR P16473 2/20 0.30
NFKB1 P19838 2/20 0.30
CA5A P35218 2/20 0.30
CYP1A2 P05177 1/20 0.30
THPO P40225 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL3392640 0.92
Sulfuric Acid SCHEMBL28041820 0.74 BLM (0.36) BLMKDM4EPMP22TSHRNFKB1
Sulfuric Acid SCHEMBL27843717 0.74 BLM (0.36) BLMKDM4EPMP22TSHRNFKB1
SCHEMBL10348320 0.70
SCHEMBL6561360 0.69
Hydrazinecarboxamide SCHEMBL7615707 0.66 TSHR (0.71) BLMKDM4EPMP22TSHRNFKB1
Hydrazinecarboxamide SCHEMBL825388 0.66 TSHR (0.71) BLMKDM4EPMP22TSHRNFKB1
Hydroxyurea SCHEMBL26111871 0.66 CA2 (0.71) BLMKDM4EPMP22TSHRNFKB1
Sulfuric Acid SCHEMBL6829531 0.66 CRBN (0.47) BLMKDM4EPMP22TSHRNFKB1
Sulfuric Acid SCHEMBL145458 0.64 CA5A (0.60) BLMKDM4EPMP22ALOX15TSHR

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-6121218-A CONTAINS ALCOHOL; ETHER; ORGANIC ACID, POLY ACID, ACID ANHYDRIDE, OR ACID HALIDE; UREA, THIOUREA OR DERIVATIVE THEREOF THOMPSON ANDREW MICHAEL (US) 2000-09-19 US disclosed