SCHEMBL28874669

SCHEMBL28874669

O=S(=O)(Oc1ccccc1)Oc1ccccc1.[NaH].[NaH]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.61
CA9 Q16790 6/20 0.61
CA1 P00915 5/20 0.61
KMT2A Q03164 2/20 0.52
LMNA P02545 3/20 0.48
PPARG P37231 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 1/20 0.43
TSHR P16473 1/20 0.43
SOS1 Q07889 1/20 0.41
STS P08842 1/20 0.41
CA4 P22748 1/20 0.39
HTR6 P50406 1/20 0.39
CA12 O43570 1/20 0.38
PGR P06401 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28075405 1.00 CA2 (0.61) CA2CA9CA1KMT2ALMNA
SCHEMBL284452 0.97 CA2 (0.64) CA2CA9CA1KMT2ALMNA
Ammonia Solution, Strong SCHEMBL6553527 0.94 CA2 (0.61) CA2CA9CA1KMT2ALMNA
Iodide SCHEMBL1777695 0.94 CA2 (0.61) CA2CA9CA1KMT2ALMNA
Biphenyl SCHEMBL20187529 0.90 CA2 (0.59) CA2CA9CA1KMT2ALMNA
SCHEMBL3113124 0.90 CA2 (0.56) CA2CA9CA1KMT2ALMNA
SCHEMBL27860931 0.90 CA2 (0.56) CA2CA9CA1KMT2ALMNA
Sulfuric Acid SCHEMBL11363482 0.90 CA2 (0.56) CA2CA9CA1KMT2ALMNA
SCHEMBL4553658 0.86 CA2 (0.58) CA2CA9CA1KMT2ALMNA
SCHEMBL28855901 0.84 CA2 (0.56) CA2CA9CA1KMT2ALMNA

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-105682749-B The expandable crosslink propylene acid ester copolymer of alkali, manufacturing method, and the composition comprising it 联合碳化化学品及塑料技术有限责任公司 2019-06-07 CN disclosed