Sulfuric Acid

Sulfuric Acid

SCHEMBL28071302

COC(=O)c1ccc2ncccc2c1.O=S(=O)([O-])[O-].[Mg+2]

nearest known ligand 0.84

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Known targets — ChEMBL curated mechanism

dacAdacBdacCftsImrcAmrcBmrdA

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
ALOX15 P16050 1/20 0.84
HTT P42858 1/20 0.84
PLK1 P53350 1/20 0.58
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
BCAT1 P54687 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
DOT1L Q8TEK3 1/20 0.49
SLC40A1 Q9NP59 1/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.48
ALPL P05186 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL265015 0.92 ALOX15 (1.00) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL30718649 0.92 ALOX15 (1.00) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL27928930 0.90 ALOX15 (0.97) ALOX15HTTPLK1NPC1RAB9A
Quinoline SCHEMBL28071393 0.87 ALOX15 (0.91) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL28071301 0.83 ALOX15 (0.60) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL18371293 0.81 ALOX15 (0.78) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL29893321 0.80 ALOX15 (0.77) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL2671065 0.80 ALOX15 (0.77) ALOX15HTTPLK1NPC1RAB9A
Quinoline SCHEMBL28161564 0.79 ALOX15 (0.76) ALOX15HTTPLK1NPC1RAB9A
SCHEMBL25294487 0.78 HTT (0.74) ALOX15HTTPLK1NPC1RAB9A

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
CN-103459382-B For suppressing the heterocyclic compound of PASK 拜奥埃内杰尼克斯公司 2016-06-29 CN disclosed