SCHEMBL29656296

SCHEMBL29656296

Nc1cccc(S(=O)(=O)CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 1/20 0.57
CA2 P00918 6/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA4 P22748 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 1/20 0.55
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
CYP19A1 P11511 1/20 0.46
POLB P06746 2/20 0.45
PRMT1 Q99873 1/20 0.43
PKLR P30613 1/20 0.42
PKM P14618 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
SCHEMBL922778 1.00 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1LMNA
Hydrochloric Acid SCHEMBL1144014 0.98 ALDH1A1 (0.56) ALDH1A1TSHRHSD17B10TDP1LMNA
Phosphoric Acid SCHEMBL11704340 0.93 ALDH1A1 (0.51) ALDH1A1TSHRHSD17B10TDP1LMNA
Sulfanilamide SCHEMBL8472428 0.89 CA2 (0.63) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL10778942 0.85 ALDH1A1 (0.62) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL13989387 0.84 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL1965280 0.84 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10TDP1LMNA
L-Phenylalaninol SCHEMBL8201376 0.83 PRMT1 (0.44) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL10603340 0.82 POLB (0.62) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL4392802 0.81 LMNA (0.57) ALDH1A1TSHRHSD17B10TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197107-B Meta-ester chlorosulfonation synthesis method with high yield and low consumption of sulfonating agent 湖北丽康源化工有限公司 2024-07-30 CN disclosed
CN-115197107-A High-yield low-sulfonating agent consumption m-ester chlorosulfonation synthesis method 湖北丽康源化工有限公司 2022-10-18 CN disclosed