SCHEMBL28619352

SCHEMBL28619352

Cc1ccc(S(=O)(=O)C2Cc3ccccc3C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
VDR P11473 1/20 0.44
LMNA P02545 3/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
RECQL P46063 1/20 0.42
METAP1 P53582 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL16738816 0.87 ACHE (0.49) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL28222973 0.85 NPC1 (0.49) VDRLMNAPSEN1PSEN2APH1B
SCHEMBL28619348 0.84 ACHE (0.44) ACHELMNAALDH1A1MAPTMETAP1
SCHEMBL29924661 0.84 ACHE (0.44) ACHELMNAALDH1A1MAPTMETAP1
SCHEMBL8170903 0.77 ACHE (0.56) ACHEMAPTMETAP1MEN1KMT2A
SCHEMBL10806805 0.75 VDR (0.48) ACHEVDRLMNAPSEN1PSEN2
SCHEMBL28804495 0.74 ACHE (0.52) ACHEMAPTMETAP1MEN1KMT2A
SCHEMBL11379093 0.74 ACHE (0.52) ACHEMAPTMETAP1MEN1KMT2A
SCHEMBL7731771 0.74 ACHE (0.56) ACHEMAPTMETAP1MEN1KMT2A
SCHEMBL316167 0.72 MAPT (0.51) ACHEMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307749-B Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative 佛山湘潭大学绿色智造研究院 2022-09-09 CN disclosed
CN-113307749-A Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative 佛山湘潭大学绿色智造研究院 2021-08-27 CN disclosed