SCHEMBL28702890

SCHEMBL28702890

CC(C)c1ccc(F)cc1C(C)C.N[SH](=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ MAPK14 Q16539 1/20 0.33
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ EIF4A3 P38919 1/20 0.32
▸ 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
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12197672 0.87 CYP1A2 (0.39) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL24869062 0.79 PDE2A (0.48) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL4547939 0.77 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL12040771 0.77 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL4547940 0.77 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL10039364 0.77 RECQL (0.36) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL16953444 0.75 RECQL (0.35) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL24869041 0.75 MEN1 (0.41) RECQLHRH4PSEN1PSEN2APH1B
SCHEMBL28559297 0.73 GABRA1 (0.48) LMNASLC6A2HTR2BALDH1A1CYP1A2
SCHEMBL8815246 0.72 ALDH1A1 (0.50) RECQLHRH4PSEN1PSEN2APH1B

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-114025758-A P2X7R antagonists 钱立刚 2022-02-08 — — CN disclosed
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