SCHEMBL28464451

SCHEMBL28464451

Cc1ccc(S(=O)(=O)n2c3c(c4cc(Cl)ccc42)CN(C(=O)O)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.59
BAZ2B Q9UIF8 5/20 0.52
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
LMNA P02545 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL21114812 0.87 HTR6 (0.56) HTR6BAZ2BPTGS1PTGS2LMNA
SCHEMBL28464449 0.84 HTR6 (0.53) HTR6LMNAPSEN1PSEN2APH1B
SCHEMBL3475930 0.82 HTR6 (0.50) HTR6BAZ2BPTGDR2PSEN1PSEN2
SCHEMBL12868529 0.77 HTR6 (0.78) HTR6
SCHEMBL1005802 0.76 HTR6 (0.46) HTR6BAZ2BPTGS1PTGS2PSEN1
SCHEMBL26794690 0.74 HTR6 (0.58) HTR6PTGDR2
SCHEMBL1005636 0.74 HTR6 (0.47) HTR6BAZ2BPSEN1PSEN2APH1B
SCHEMBL834193 0.74 HTR6 (1.00) HTR6
SCHEMBL3478091 0.73 HTR6 (0.45) HTR6BAZ2BPSEN1PSEN2APH1B
SCHEMBL801286 0.73 HTR6 (1.00) HTR6

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-111757882-A 1,3,4, 5-tetrahydro-2H-pyrido [4,3-b ] indole derivatives for the treatment, alleviation or prevention of disorders associated with Tau aggregates such as alzheimer's disease AC免疫有限公司 2020-10-09 CN disclosed