Sulfuric Acid

Sulfuric Acid

SCHEMBL4313089

C[n+]1ccc(-c2cc3ccc(N4CCOCC4)cc3oc2=O)cc1.O=S(=O)([O-])O

nearest known ligand 0.52

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 0.52
ALK Q9UM73 1/20 0.47
ESR2 Q92731 1/20 0.39
MIF P14174 7/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
SIRT3 Q9NTG7 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 3/20 0.36
POLB P06746 1/20 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
SCHEMBL4311834 0.93 SLC16A3 (0.56) SLC16A3ALKESR2MIFNPC1
Bromide SCHEMBL4305879 0.92 SLC16A3 (0.55) SLC16A3ALKESR2MIFNPC1
SCHEMBL4301893 0.90 SLC16A3 (0.45) SLC16A3ALKMIFMEN1KMT2A
Sulfuric Acid SCHEMBL4304339 0.88 SLC16A3 (0.50) SLC16A3ALKESR2MIFNPC1
SCHEMBL4301899 0.87 SLC16A3 (0.43) SLC16A3ALKESR2MIFNPC1
Sulfuric Acid SCHEMBL4302928 0.85 SLC16A3 (0.47) SLC16A3ALKESR2MIFNPC1
Sulfuric Acid SCHEMBL4301560 0.84 SLC16A3 (0.48) SLC16A3ALKMIFNPC1RAB9A
SCHEMBL4301890 0.84 ALDH1A1 (0.44) SLC16A3ALKESR2MIFNPC1
SCHEMBL4301388 0.83 ALDH1A1 (0.43) SLC16A3ALKESR2MIFNPC1
SCHEMBL4301601 0.81 SLC16A3 (0.56) SLC16A3ALKESR2MIFNPC1

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