Sulfuric Acid

Sulfuric Acid

SCHEMBL11560002

N=C(N)NCCC1CCC1.O=S(=O)(O)O

nearest known ligand 0.47

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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 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
EPHX1 P07099 1/20 0.41
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
ALB P02768 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 1/20 0.35
SPHK1 Q9NYA1 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALOX5 P09917 1/20 0.32
BCHE P06276 1/20 0.31

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
Sulfuric Acid SCHEMBL11562512 0.96 EPHX1 (0.45) ALOX15EPHX1TPSAB1TPSD1TPSG1
Sulfuric Acid SCHEMBL11559384 0.93 ALOX15 (0.47) ALOX15EPHX1TPSAB1TPSD1TPSG1
SCHEMBL18624790 0.91 EPHX1 (0.43) ALOX15EPHX1TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL28486010 0.89 EPHX1 (0.42) ALOX15EPHX1TPSAB1TPSD1TPSG1
SCHEMBL17198177 0.87 EPHX1 (0.47) EPHX1TPSAB1TPSD1TPSG1ALB
Hydrochloric Acid SCHEMBL28128905 0.85 EPHX1 (0.46) EPHX1TPSAB1TPSD1TPSG1ALB
SCHEMBL17198874 0.85 EPHX1 (0.50) EPHX1TPSAB1TPSD1TPSG1NPC1
Sulfuric Acid SCHEMBL11561143 0.85 ALOX15 (0.49) ALOX15EPHX1ALBSPHK1MEN1
Hydrochloric Acid SCHEMBL28129383 0.83 EPHX1 (0.49) EPHX1TPSAB1TPSD1TPSG1NPC1
SCHEMBL4762965 0.82

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-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed