SCHEMBL29668808

SCHEMBL29668808

COc1ccc(CN(c2ccccn2)S(=O)(=O)c2c(F)cc(F)cc2F)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
CHRNA7 P36544 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL20238064 1.00 TDP1 (0.41) TDP1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL28740317 0.93 KMT2A (0.41) TDP1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL20252703 0.90 TP53 (0.39) TDP1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL20238176 0.90 KDM4E (0.39) TDP1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL15466255 0.87 POLB (0.40) TDP1POLBALDH1A1KDM4EMEN1
SCHEMBL29668985 0.87 GAA (0.40) TDP1POLBALDH1A1KDM4EMEN1
SCHEMBL14921470 0.87 ALDH1A1 (0.40) TDP1POLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL20238105 0.87 GAA (0.40) TDP1POLBALDH1A1KDM4EMEN1
SCHEMBL20238565 0.86 KMT2A (0.37) POLBALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL29669086 0.86 KMT2A (0.37) POLBALDH1A1SMN1; SMN2KDM4EMEN1

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-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed