SCHEMBL26923232

SCHEMBL26923232

O=C(O)N1Cc2cccc(OC(F)F)c2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 6/20 0.48
TRAP1 Q12931 3/20 0.39
HSP90B1 P14625 2/20 0.39
SLC6A9 P48067 2/20 0.39
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EP300 Q09472 1/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL30686900 0.81 ABHD6 (0.54) ABHD6SLC6A9DPP8DPP9DPP7
SCHEMBL26922821 0.81 ABHD6 (0.54) ABHD6SLC6A9DPP8DPP9DPP7
SCHEMBL16638014 0.80 ABHD6 (0.61) ABHD6TRAP1HSP90B1SLC6A9
SCHEMBL30772456 0.74 TRAP1 (0.56) ABHD6TRAP1HSP90B1DPP8DPP9
SCHEMBL497487 0.74 TRAP1 (0.56) ABHD6TRAP1HSP90B1DPP8DPP9
SCHEMBL7946982 0.73 TRAP1 (0.52) ABHD6TRAP1SLC6A9DPP8DPP9
SCHEMBL16637906 0.73 TRAP1 (0.43) ABHD6TRAP1HSP90B1
SCHEMBL4437645 0.71 ABHD6 (0.57) ABHD6TRAP1HSP90B1DPP8DPP9
SCHEMBL31504518 0.71 AKR1C3 (0.42) ABHD6TRAP1HSP90B1DPP8DPP9
SCHEMBL3469584 0.71 TRAP1 (0.53) TRAP1ALDH1A1TSHR

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-2023240024-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed