SCHEMBL25164774

SCHEMBL25164774

CC(OS(C)(=O)=O)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.37
▸ LOX P28300 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ AR P10275 1/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ FAAH O00519 1/20 0.34

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
SCHEMBL30329310 1.00 LOXL2 (0.37) LOXL2LOXHRH4MGLLADAMTS4
SCHEMBL30328009 0.78 TRPV4 (0.40) PTGS2PTGS1
SCHEMBL15260015 0.77 NFE2L2 (0.35) LOXL2LOXPTGS2
SCHEMBL179263 0.76 LOXL2 (0.47) LOXL2LOXMGLLARFAAH
SCHEMBL19846700 0.74 LOXL2 (0.36) LOXL2LOXMGLLARACACB
SCHEMBL30124822 0.73 MYC (0.35) —
SCHEMBL18855226 0.73 LOXL2 (0.46) LOXL2LOXHRH4ADAMTS4MMP13
SCHEMBL22719593 0.73 ADAMTS4 (0.45) ADAMTS4MMP13
SCHEMBL29504989 0.73 ADAMTS4 (0.45) ADAMTS4MMP13
SCHEMBL20786041 0.73 LOXL2 (0.44) LOXL2LOXMGLLARFAAH

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-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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