SCHEMBL29047615

SCHEMBL29047615

O=Cc1cc(OC(F)(F)F)ccc1S(=O)(=O)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.39
CHRM5 P08912 3/20 0.39
PTGES2 Q9H7Z7 2/20 0.38
KAT6A Q92794 2/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CETP P11597 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.35
GPR3 P46089 1/20 0.35
PIM1 P11309 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL29047573 0.82 CA1 (0.40) LMNAALDH1A1MEN1NPC1RAB9A
SCHEMBL29047632 0.82 ERN1 (0.47) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL29047606 0.80 ALDH1A1 (0.43) LMNAALDH1A1MEN1NPC1RAB9A
SCHEMBL29047611 0.77 TDP1 (0.49) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL29047698 0.77 LMNA (0.43) LMNAALDH1A1MEN1KMT2ATDP1
SCHEMBL11745047 0.76 ALDH1A1 (0.50) LMNAALDH1A1MEN1NPC1RAB9A
SCHEMBL29047625 0.75 ALDH1A1 (0.44) PTGES2KAT6ALMNAALDH1A1MEN1
SCHEMBL29047589 0.73 ERN1 (0.47) LMNAALDH1A1MEN1KMT2AADORA2A
SCHEMBL28328818 0.71 LMNA (0.56) CHRM5PTGES2LMNAALDH1A1KMT2A
SCHEMBL27619654 0.71 TDP1 (0.61) ALDH1A1MEN1NPC1RAB9AKMT2A

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-108947931-B Thiazole amide compound, preparation method thereof, pharmaceutical composition and application 中国科学院上海有机化学研究所 2023-07-07 CN disclosed