SCHEMBL22475379

SCHEMBL22475379

[O-][S+](F)n1cnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTT P42858 4/20 0.44
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH3A1 P30838 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ TNF P01375 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ STAT6 P42226 1/20 0.39
▸ NOD1 Q9Y239 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
SCHEMBL1618548 0.84 TDP1 (0.48) TDP1HTTLMNASMN1; SMN2ALDH3A1
SCHEMBL9092595 0.81 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2ALDH3A1
SCHEMBL2794591 0.81 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2ALDH3A1
SCHEMBL2802532 0.79 TDP1 (0.44) TDP1HTTLMNASMN1; SMN2ALDH3A1
SCHEMBL9560914 0.77 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2ALDH3A1
SCHEMBL3335253 0.74 POLB (0.46) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL636638 0.74 CYP11B1 (0.50) TDP1HTTLMNASMN1; SMN2TNF
SCHEMBL9236926 0.73 TDP1 (0.42) TDP1HTTLMNASMN1; SMN2POLB
SCHEMBL9677089 0.73 TDP1 (0.39) TDP1HTTLMNASMN1; SMN2ALDH3A1
SCHEMBL630973 0.71 POLB (0.43) TDP1HTTLMNASMN1; SMN2POLB

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
EP-3715342-A1 FLUOROSULFONYL-CONTAINING COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2020-09-30 — — EP disclosed
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