SCHEMBL8446583

SCHEMBL8446583

Cc1c(C#N)c(S(Cl)(Cl)CF)c(C)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 15/20 0.41
GABRA2 P47869 13/20 0.41
GABRB2 P47870 13/20 0.41
GABRP O00591 5/20 0.41
GABRD O14764 5/20 0.41
GABRA1 P14867 5/20 0.41
GABRB1 P18505 5/20 0.41
GABRG2 P18507 5/20 0.41
GABRA5 P31644 5/20 0.41
GABRA3 P34903 5/20 0.41
GABRA4 P48169 5/20 0.41
GABRE P78334 5/20 0.41
GABRA6 Q16445 5/20 0.41
GABRG1 Q8N1C3 5/20 0.41
GABRG3 Q99928 5/20 0.41
GABRQ Q9UN88 5/20 0.41
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8026720 0.92 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8010408 0.81 TDP1 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8822800 0.80 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9028146 0.79 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8446016 0.79 GABRA2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9028687 0.78 GABRP (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8822967 0.74 GABRA2 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8446587 0.74 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8446582 0.73 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8822810 0.71 GABRA2 (0.38) GABRB3GABRA2GABRB2GABRPGABRD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460940-A1 Pesticidal 1-arylpyrroles RHONE-POULENC AGROCHIMIE (FR) 1991-12-11 EP claimed
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