SCHEMBL8445444

SCHEMBL8445444

N#C/C=C/c1c(SC(F)(F)F)c(C#N)c(Cl)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.39
GABRD O14764 5/20 0.39
GABRA1 P14867 5/20 0.39
GABRB1 P18505 5/20 0.39
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
GABRA5 P31644 5/20 0.39
GABRA3 P34903 5/20 0.39
GABRA2 P47869 5/20 0.39
GABRB2 P47870 5/20 0.39
GABRA4 P48169 5/20 0.39
GABRE P78334 5/20 0.39
GABRA6 Q16445 5/20 0.39
GABRG1 Q8N1C3 5/20 0.39
GABRG3 Q99928 5/20 0.39
GABRQ Q9UN88 5/20 0.39
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8445445 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8822818 0.80 GABRA2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8442972 0.80 GABRA2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9028426 0.78 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9028986 0.76 GABRA2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8445559 0.76 GABRB3 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10382768 0.75 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8444057 0.74 GABRB3 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3548781 0.73 GABRA2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8822790 0.73 GABRP (0.37) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460940-B1 Pesticidal 1-arylpyrroles RHONE POULENC AGROCHIMIE (FR) 1999-01-27 EP disclosed
US-5506260-A INSECTICIDES, ACARICIDES, NEMATOCIDES RHONE-POULENC AG COMPANY (US) 1996-04-09 US disclosed
US-5187185-A Pesticidal 1-arylpyrroles RHONE-POULENC AG COMPANY (US) 1993-02-16 US disclosed
EP-0460940-A1 Pesticidal 1-arylpyrroles RHONE-POULENC AGROCHIMIE (FR) 1991-12-11 EP disclosed