Sulfuric Acid

Sulfuric Acid

SCHEMBL7012675

CCCc1cn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCOC(C)=O)CC4)ccc3OCC)nc12.O=S(=O)([O-])O.[H+]

nearest known ligand 0.76

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
▸ PDE5A O76074 20/20 0.76
▸ PDE3B Q13370 2/20 0.60
▸ PDE3A Q14432 2/20 0.60
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58
▸ HDAC2 Q92769 1/20 0.57
▸ PDE1A P54750 2/20 0.56
▸ PDE1B Q01064 2/20 0.56
▸ PDE1C Q14123 2/20 0.56
▸ PDE2A O00408 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ ABCC5 O15440 1/20 0.56
▸ PDE6D O43924 1/20 0.56
▸ PDE8A O60658 1/20 0.56
▸ PDE9A O76083 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ PDE6A P16499 1/20 0.56
▸ PDE6G P18545 1/20 0.56

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 SCHEMBL7012672 0.97 PDE5A (0.78) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6501252 0.97 PDE5A (0.80) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6506281 0.93 PDE5A (0.80) PDE5APDE3BPDE3AHDAC1HDAC6
Sulfuric Acid SCHEMBL6499390 0.90 PDE5A (0.80) PDE5A
Sulfuric Acid SCHEMBL6644361 0.89 PDE5A (0.76) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL22066547 0.89 PDE5A (0.80) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6529760 0.89 PDE5A (0.84) PDE5APDE3BPDE3AHDAC1HDAC6
SCHEMBL6485584 0.88 PDE5A (0.81) PDE5APDE3BPDE3AHDAC1HDAC6
Hydrochloric Acid SCHEMBL6641810 0.88 PDE5A (0.82) PDE5APDE3BPDE3AHDAC1HDAC6
Hydrochloric Acid SCHEMBL6502773 0.88 PDE5A (0.73) PDE5APDE3BPDE3AHDAC1HDAC6

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-1362858-A1 Pyrrolopyrimidinone derivates, process of preparation and use SK Chemicals Co., Ltd. (KR) 2003-11-19 — — EP disclosed
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