SCHEMBL10433732

SCHEMBL10433732

O=[N+]([O-])c1ccc(F)c(F)c1S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 2/20 0.47
VCAM1 P19320 1/20 0.44
CASP6 P55212 1/20 0.43
TSHR P16473 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
CYP3A4 P08684 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL57498 0.80 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29361654 0.80 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL17610001 0.80 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL10434086 0.80 TDP1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL73931 0.77 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL521166 0.75 GPR35 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL938956 0.75 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL632916 0.75 MAPT (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL2481319 0.75 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29902915 0.75 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121873035-A Synthesis method of asymmetric dialkoxy fluorine-containing dibenzothiophene 江苏广域化学有限公司 2026-04-17 CN disclosed
EP-0368410-A2 Optically active benzoxazines and bezothiazines and a process for their stereospecific preparation GIST-BROCADES N.V. (NL) 1990-05-16 EP disclosed