SCHEMBL8553552

SCHEMBL8553552

FC(F)(F)c1cc(Cl)c(-c2[nH]nc(C(F)(F)F)c2I)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
IKBKB O14920 1/20 0.32
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31

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
SCHEMBL8556916 0.83 IKBKB (0.37) NOTUMGABRA2GABRB2GABRPGABRD
SCHEMBL8399498 0.80 GABRP (0.39) NOTUMGABRA2GABRB2GABRPGABRD
SCHEMBL8552378 0.78 GABRP (0.38) NOTUMGABRA2GABRB2GABRPGABRD
SCHEMBL8553445 0.77
SCHEMBL8556532 0.76 NOTUM (0.32) NOTUMALDH1A1
SCHEMBL7254061 0.73 IKBKB (0.39) NOTUMGABRA2GABRB2GABRPGABRD
SCHEMBL18424213 0.72 GLP1R (0.36) NOTUMGABRA2GABRB2GABRPGABRD
SCHEMBL22366856 0.71 GABRB3 (0.44) NOTUMGABRA2GABRB2GABRPGABRD
SCHEMBL8557118 0.69 GABRB3 (0.41) NOTUMGABRA2GABRB2GABRPGABRD
SCHEMBL8555407 0.68 GABRB3 (0.36) NOTUMGABRA2GABRB2GABRPGABRD

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