SCHEMBL28901422

SCHEMBL28901422

[CH2][C@H](O)COc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.47
CA2 P00918 14/20 0.47
CA9 Q16790 12/20 0.44
CA7 P43166 7/20 0.44
CA4 P22748 7/20 0.44
CA12 O43570 7/20 0.43
CA14 Q9ULX7 2/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
NOS1 P29475 1/20 0.39
KAT6A Q92794 1/20 0.38
CA6 P23280 1/20 0.38
CA13 Q8N1Q1 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
SCHEMBL28469591 0.85 PRMT5 (0.47) PRMT5WDR77KAT6A
SCHEMBL21353039 0.85 PRMT5 (0.47) PRMT5WDR77KAT6A
SCHEMBL28737824 0.84 PSIP1 (0.41) PRMT5WDR77KAT6A
SCHEMBL28737773 0.82 KAT6A (0.42) KAT6A
SCHEMBL28737771 0.82 ADRB3 (0.41) KAT6A
SCHEMBL24154807 0.81 CA2 (0.50) CA1CA2CA9CA7CA4
SCHEMBL28468656 0.81 POLB (0.46) KAT6A
SCHEMBL21353640 0.80 ADRB3 (0.41) PRMT5WDR77KAT6A
SCHEMBL21353207 0.80 ADRB3 (0.47) PRMT5WDR77KAT6A
SCHEMBL28737790 0.78 ADRB3 (0.40) PRMT5WDR77KAT6A

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-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 CN disclosed