Sugi Predict

Sugi Predict / Compounds / Sulfurous Acid

Sulfurous Acid

Sulfurous Acid

SCHEMBL28752565

CC(C)C(C=O)NC(=O)Cc1ccccc1.O=S(O)O

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.54
▸ POLB P06746 2/20 0.51
▸ CNR1 P21554 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ PSMB8 P28062 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 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
Sulfurous Acid SCHEMBL5567229 1.00 CNR2 (0.54) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL7294141 0.94 POLB (0.56) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL5567744 0.94 POLB (0.56) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL6439569 0.94 POLB (0.56) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL7300117 0.79 HDAC2 (0.51) CNR2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL3024846 0.79 POLB (0.59) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL3024849 0.79 POLB (0.59) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL19099236 0.75 POLB (0.63) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL14701618 0.75 POLB (0.63) CNR2POLBCNR1MEN1CYP1A2
SCHEMBL7674546 0.74 POLB (0.67) CNR2POLBCNR1MEN1CYP1A2

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-1646477-A Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS BV (NL) 2005-07-27 — — CN disclosed
Send feedback