SCHEMBL24869049

SCHEMBL24869049

CC(C)c1ccc(F)cc1[S+](C)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
EIF4A3 P38919 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL18793267 0.77 CA3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12197672 0.72 CYP1A2 (0.39) RECQLPSEN1PSEN2APH1BNCSTN
SCHEMBL23637870 0.72 TLR9 (0.31)
SCHEMBL777155 0.71 ALDH1A1 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL13712973 0.71 GABRA1 (0.43) LMNASLC6A2HTR2BCA9CYP1A2
SCHEMBL12413928 0.71 EIF4A3 (0.33) EIF4A3
SCHEMBL84105 0.70 CES2 (0.46) RECQLPSEN1PSEN2APH1BNCSTN
SCHEMBL15035953 0.69 PDE2A (0.33) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL84044 0.69 ALDH1A1 (0.41) RECQLTRPA1LMNACHRM1SLC6A2
SCHEMBL24693329 0.68 CA3 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed