SCHEMBL29028581

SCHEMBL29028581

CCCCCCCN(F)S(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
APOBEC3G Q9HC16 1/20 0.48
PTGES O14684 2/20 0.47
ALOX5 P09917 2/20 0.47
ESR1 P03372 2/20 0.46
NR1I2 O75469 1/20 0.45
SERPINE1 P05121 1/20 0.43
CNR2 P34972 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MCHR1 Q99705 1/20 0.42
KCNH2 Q12809 1/20 0.41
PSIP1 O75475 1/20 0.41
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
ESR2 Q92731 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
SCHEMBL3555916 0.86 TDP1 (0.58) TDP1APOBEC3GESR1NR1I2PSIP1
SCHEMBL29028661 0.85 MCHR1 (0.59) TDP1PTGESALOX5SERPINE1CNR2
SCHEMBL30401746 0.85 CNR2 (0.55) TDP1PTGESALOX5SERPINE1CNR2
SCHEMBL29028380 0.84 SERPINE1 (0.44) TDP1PTGESALOX5SERPINE1CNR2
SCHEMBL579010 0.83 TDP1 (0.64) TDP1PTGESALOX5ESR1NR1I2
SCHEMBL29173159 0.83 TDP1 (0.64) TDP1PTGESALOX5ESR1NR1I2
SCHEMBL18763131 0.83 TDP1 (0.64) TDP1PTGESALOX5ESR1NR1I2
SCHEMBL8349234 0.83 TDP1 (0.64) TDP1PTGESALOX5ESR1NR1I2
SCHEMBL29028430 0.81 CNR2 (0.56) SERPINE1CNR2
SCHEMBL1278659 0.81 TDP1 (0.67) TDP1PTGESALOX5ESR1NR1I2

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-115974732-A Method for preparing alkyl sulfonyl fluoride 中国石油大学(华东) 2023-04-18 CN disclosed