Sulfuric Acid

Sulfuric Acid

SCHEMBL4301560

O=S(=O)([O-])O.O=c1oc2cc(N3CCOCC3)ccc2cc1-c1cc[n+](Cc2ccccc2)cc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CYP51cyp51Acyp51c

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
SLC16A3 O15427 1/20 0.48
ASAH1 Q13510 1/20 0.41
ALK Q9UM73 1/20 0.41
NPC1 O15118 2/20 0.40
MIF P14174 1/20 0.40
CHKA P35790 3/20 0.39
KIF11 P52732 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
STS P08842 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
PRKDC P78527 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL4305774 0.94 SLC16A3 (0.52) SLC16A3ASAH1ALKNPC1MIF
Bromide SCHEMBL4303924 0.93 SLC16A3 (0.51) SLC16A3ASAH1ALKNPC1MIF
SCHEMBL4301409 0.90 SLC16A3 (0.42) SLC16A3ALKMIFCHKAPKM
Sulfuric Acid SCHEMBL4304339 0.88 SLC16A3 (0.50) SLC16A3ASAH1ALKNPC1MIF
SCHEMBL4301412 0.88 MIF (0.41) SLC16A3ASAH1ALKNPC1MIF
SCHEMBL4309353 0.86 CHKA (0.52) SLC16A3NPC1MIFCHKAALDH1A1
SCHEMBL4306424 0.85 CHKA (0.51) SLC16A3NPC1MIFCHKAALDH1A1
Sulfuric Acid SCHEMBL4302928 0.85 SLC16A3 (0.47) SLC16A3ASAH1ALKNPC1MIF
Sulfuric Acid SCHEMBL4313089 0.84 SLC16A3 (0.52) SLC16A3ALKNPC1MIFALDH1A1
SCHEMBL4301601 0.82 SLC16A3 (0.56) SLC16A3ALKNPC1MIFALDH1A1

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
WO-2009124800-A1 CATIONIC DIRECT DYES AND AGENTS FOR DYEING FIBERS CONTAINING KERATIN HENKEL AG & CO. KGAA (DE) 2009-10-15 WO disclosed