SCHEMBL28986963

SCHEMBL28986963

C=Cc1ccccc1OS(=O)(=O)O.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SLC22A6 Q4U2R8 1/20 0.41
FABP1 P07148 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.33
NFE2L2 Q16236 2/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
SRC P12931 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA5A P35218 1/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
TFEB P19484 1/20 0.33

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
SCHEMBL731975 0.98 ALDH1A1 (0.43) ALDH1A1SLC22A6FABP1MAPK1LMNA
SCHEMBL29743115 0.98 ALDH1A1 (0.43) ALDH1A1SLC22A6FABP1MAPK1LMNA
SCHEMBL28349910 0.83 ALDH1A1 (0.61) ALDH1A1SLC22A6FABP1MAPK1LMNA
Sulfuric Acid SCHEMBL28268172 0.81 LMNA (0.41) ALDH1A1MAPK1LMNAKMT2AMAPT
SCHEMBL5024306 0.81 ALDH1A1 (0.62) ALDH1A1SLC22A6FABP1MAPK1LMNA
SCHEMBL20124005 0.79 CA2 (0.45) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL7787737 0.79 SMN1; SMN2 (0.44) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL11585504 0.79 ALDH1A1 (0.61) ALDH1A1SLC22A6FABP1MAPK1LMNA
SCHEMBL514247 0.77 SLC22A6 (0.53) ALDH1A1SLC22A6FABP1LMNAMAPT
SCHEMBL9236086 0.76 ALDH1A1 (0.41) ALDH1A1MAPK1LMNAMEN1KMT2A

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-113235202-B Multifunctional fabric and preparation method and application thereof 华中科技大学 2023-03-21 CN disclosed