SCHEMBL8556532

SCHEMBL8556532

FC(F)(F)c1cc(Cl)c(-c2[nH]nc(C(F)(F)F)c2C#CBr)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8552378 0.83 GABRP (0.38) NOTUMALDH1A1GAAHTT
SCHEMBL8555613 0.83 GABRP (0.34) ALDH1A1GAAHTT
SCHEMBL8553552 0.76 NOTUM (0.35) NOTUMALDH1A1
SCHEMBL8557118 0.72 GABRB3 (0.41) NOTUMALDH1A1GAAHTT
SCHEMBL8550923 0.71 GABRP (0.34) NOTUMALDH1A1GAAHTT
SCHEMBL8556152 0.70 GABRP (0.34) ALDH1A1GAAHTT
SCHEMBL8554505 0.69 GABRP (0.36) NOTUMALDH1A1GAAHTT
SCHEMBL8551079 0.69 GABRP (0.34) NOTUM
SCHEMBL8551496 0.69 NOTUM (0.34) NOTUM
SCHEMBL7966297 0.68 GABRP (0.51) ALDH1A1

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
EP-0871617-A1 PARASITICIDAL COMPOUNDS PFIZER INC. (US) 1998-10-21 EP disclosed
WO-1997007102-A1 PARASITICIDAL COMPOUNDS PFIZER INC (US) 1997-02-27 WO disclosed