SCHEMBL24696307

SCHEMBL24696307

O=S(=O)(F)n1c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH3A1 P30838 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
PDE6D O43924 1/20 0.47
ALDH2 P05091 1/20 0.47
NOD1 Q9Y239 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CXCL8 P10145 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.42
NOD2 Q9HC29 1/20 0.42

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
SCHEMBL24695992 0.85 NOD1 (0.55) KDM4EALDH3A1ALDH1A1HPGDNOD1
SCHEMBL573404 0.83 KDM4E (0.53) KDM4EHSD17B10ALDH3A1ALDH1A1HPGD
SCHEMBL11607699 0.82 NOD1 (0.65) KDM4EHSD17B10ALDH3A1ALDH1A1HPGD
SCHEMBL28309320 0.81 KDM4E (0.50) KDM4EHSD17B10ALDH3A1ALDH1A1HPGD
SCHEMBL22462449 0.79 SMN1; SMN2 (0.66) HSD17B10ALDH3A1ALDH1A1HPGDNOD1
SCHEMBL28309197 0.77 ALDH3A1 (0.72) HSD17B10ALDH3A1ALDH1A1HPGDNOD1
SCHEMBL21034360 0.76 SMN1; SMN2 (0.52) KDM4EHSD17B10ALDH3A1ALDH1A1HPGD
SCHEMBL28866098 0.73 KDM4E (0.54) KDM4EHSD17B10ALDH3A1ALDH1A1HPGD
SCHEMBL5694179 0.71 KMT2A (0.47) KDM4EHSD17B10ALDH3A1ALDH1A1HPGD
SCHEMBL21560939 0.69 KDM4E (0.54) KDM4EHSD17B10ALDH3A1ALDH1A1HPGD

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
WO-2022252404-A1 FLUOROSULFONYL FREE RADICAL REAGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 福州大学 2022-12-08 WO disclosed