SCHEMBL8555869

SCHEMBL8555869

Cc1n[nH]c(N)c1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.44
GABRB3 P28472 11/20 0.43
GABRP O00591 9/20 0.43
GABRD O14764 9/20 0.43
GABRA1 P14867 9/20 0.43
GABRB1 P18505 9/20 0.43
GABRG2 P18507 9/20 0.43
GABRA5 P31644 9/20 0.43
GABRA3 P34903 9/20 0.43
GABRA2 P47869 9/20 0.43
GABRB2 P47870 9/20 0.43
GABRA4 P48169 9/20 0.43
GABRE P78334 9/20 0.43
GABRA6 Q16445 9/20 0.43
GABRG1 Q8N1C3 9/20 0.43
GABRG3 Q99928 9/20 0.43
GABRQ Q9UN88 9/20 0.43
NOTUM Q6P988 1/20 0.38
SHMT1 P34896 1/20 0.36
ILK Q13418 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
SCHEMBL8550675 0.84 IKBKB (0.50) IKBKBGABRB3GABRPGABRDGABRA1
SCHEMBL7254061 0.83 IKBKB (0.39) IKBKBGABRB3GABRPGABRDGABRA1
SCHEMBL7457626 0.81 ALDH1A1 (0.52) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL7970166 0.79 GLP1R (0.42) IKBKBGABRB3GABRPGABRDGABRA1
SCHEMBL8507958 0.78 ALDH1A1 (0.50) IKBKBGABRB3GABRPGABRDGABRA1
SCHEMBL2418512 0.78 GABRP (0.42) IKBKBGABRB3GABRPGABRDGABRA1
SCHEMBL7776908 0.77 ALDH1A1 (0.40) IKBKBGABRB3GABRPGABRDGABRA1
SCHEMBL7038644 0.76 GAA (0.37) ILKKDM4EALDH1A1SMN1; SMN2
SCHEMBL10721640 0.76 ALDH1A1 (0.39) IKBKBGABRB3GABRPGABRDGABRA1
SCHEMBL8554271 0.76 GABRA2 (0.50) IKBKBGABRB3GABRPGABRDGABRA1

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