Sulfuric Acid

Sulfuric Acid

SCHEMBL9823993

COc1ccc([N+]#N)cc1.O=S(=O)([O-])O

nearest known ligand 0.48

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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
▸ PKM P14618 4/20 0.48
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ MMP13 P45452 2/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ F2 P00734 3/20 0.42
▸ PRSS1 P07477 3/20 0.42
▸ PRSS2 P07478 3/20 0.42
▸ PRSS3 P35030 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CA9 Q16790 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKLR P30613 1/20 0.41

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 SCHEMBL9823987 0.92 PKM (0.52) PKMCA1CA2MMP13MMP1
Sulfuric Acid SCHEMBL10535746 0.92 PKM (0.47) PKMCA1CA2MMP13MMP1
Sulfuric Acid SCHEMBL27922881 0.91 PKM (0.50) PKMCA1CA2MMP13MMP1
Sulfuric Acid SCHEMBL22974911 0.91 RAB9A (0.52) PKMCA1CA2MMP13MMP1
Trifluoromethanesulfonic Acid SCHEMBL8373803 0.84 KCNH2 (0.45) PKMCA1CA2MMP13MMP1
SCHEMBL1462915 0.84 CA1 (0.58) PKMCA1CA2GAAALDH1A1
Hydrochloric Acid SCHEMBL4661603 0.82 CA1 (0.55) PKMCA1CA2GAAALDH1A1
Phosphonic Acid SCHEMBL31278123 0.81 CA1 (0.44) PKMCA1CA2MMP13MMP1
SCHEMBL3746309 0.81 CA1 (0.47) PKMCA1CA2MMP13MMP1
Sulfuric Acid SCHEMBL5676715 0.81 HTT (0.47) CA1CA2MMP13MMP2MMP9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0172697-B1 Octahydro-oxazolo[4,5-g]quinolines ELI LILLY AND COMPANY (US) 1991-09-25 — — EP disclosed
US-4816373-A SILVER HALIDE PHOTOGRAPHIC LIGHT SENSITIVE MATERIAL MITSUBISHI PAPER MILLS, LTD. (JP) 1989-03-28 — — US disclosed
US-4698347-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS, SEXUAL DISFUNCTION, PARKINSONS DISEASE ELI LILLY AND COMPANY (US) 1987-10-06 — — US disclosed
US-4659832-A REACTING UREA (OR ISOUREA) WITH 6-OXO-BROMO-QUINOLINE ELI LILLY AND COMPANY (US) 1987-04-21 — — US disclosed
EP-0172697-A2 Octahydro-oxazolo[4,5-g]quinolines ELI LILLY AND COMPANY (US) 1986-02-26 — — EP disclosed
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