Sulfuric Acid

Sulfuric Acid

SCHEMBL9570920

O=C(O)Oc1cn(C2CC2)c2c(Cl)c(N3C[C@@H]4CCCN[C@@H]4C3)c(F)cc2c1=O.O=S(=O)(O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 2/20 0.47
CHRM2 known ✓ P08172 1/20 0.47
CHRM1 known ✓ P11229 1/20 0.47
OPRD1 known ✓ P41143 1/20 0.47
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HPGD P15428 5/20 0.60
HSD17B10 Q99714 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 2/20 0.47
KCNH2 Q12809 5/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL6212469 0.97 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7502048 0.97 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL6216048 0.96 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL1859198 0.96 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10MEN1
Phenylmethanesulfonic Acid SCHEMBL9570841 0.92 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8741133 0.90 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
Citric Acid SCHEMBL9570761 0.89 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6211854 0.89 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411014 0.89 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411008 0.89 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1

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
EP-0550903-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1993-07-14 EP disclosed