SCHEMBL8399375

SCHEMBL8399375

C=Cc1c(C#N)n[nH]c1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRA1 P14867 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA5 P31644 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRB2 P47870 3/20 0.34
GABRA4 P48169 3/20 0.34
GABRE P78334 3/20 0.34
GABRA6 Q16445 3/20 0.34
GABRG1 Q8N1C3 3/20 0.34
GABRG3 Q99928 3/20 0.34
GABRQ Q9UN88 3/20 0.34
CYP3A4 P08684 2/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8401036 0.87 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8555285 0.85 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8557984 0.85 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8553134 0.84 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8550913 0.83 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8550909 0.83 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8554494 0.83 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8552977 0.82 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8554972 0.82 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8552980 0.82 GABRP (0.32) GABRPGABRDGABRA1GABRB1GABRG2

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-0918756-A1 PARASITICIDAL PYRAZOLES Pfizer Limited (GB) 1999-06-02 EP disclosed
WO-1998004530-A1 PARASITICIDAL PYRAZOLES PFIZER LIMITED (GB) 1998-02-05 WO disclosed