SCHEMBL9027653

SCHEMBL9027653

Cc1c(C#N)c([S+]([O-])C(F)(Cl)Cl)cn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.40
GABRB2 P47870 11/20 0.40
GABRB3 P28472 11/20 0.40
GABRP O00591 6/20 0.40
GABRD O14764 6/20 0.40
GABRA1 P14867 6/20 0.40
GABRB1 P18505 6/20 0.40
GABRG2 P18507 6/20 0.40
GABRA5 P31644 6/20 0.40
GABRA3 P34903 6/20 0.40
GABRA4 P48169 6/20 0.40
GABRE P78334 6/20 0.40
GABRA6 Q16445 6/20 0.40
GABRG1 Q8N1C3 6/20 0.40
GABRG3 Q99928 6/20 0.40
GABRQ Q9UN88 6/20 0.40
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8446507 0.92 GABRA2 (0.43) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822779 0.88 GABRA2 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822828 0.86 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9029093 0.84 GABRA2 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822858 0.81 GABRA2 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822791 0.80 GABRA2 (0.42) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822822 0.79 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822718 0.79 GABRA2 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822905 0.78 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL8822772 0.77 GABRA2 (0.42) GABRA2GABRB2GABRB3GABRPGABRD

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