SCHEMBL5202801

SCHEMBL5202801

CC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Br)c(N)c1[S+](C)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.45
GABRD O14764 20/20 0.45
GABRA1 P14867 20/20 0.45
GABRB1 P18505 20/20 0.45
GABRG2 P18507 20/20 0.45
GABRB3 P28472 20/20 0.45
GABRA5 P31644 20/20 0.45
GABRA3 P34903 20/20 0.45
GABRA2 P47869 20/20 0.45
GABRB2 P47870 20/20 0.45
GABRA4 P48169 20/20 0.45
GABRE P78334 20/20 0.45
GABRA6 Q16445 20/20 0.45
GABRG1 Q8N1C3 20/20 0.45
GABRG3 Q99928 20/20 0.45
GABRQ Q9UN88 20/20 0.45
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25897 0.93 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7673514 0.89 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7030324 0.88 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7250513 0.86 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7250518 0.86 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8855400 0.85 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7673521 0.84 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20089290 0.83 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28310778 0.81 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5203598 0.81 GABRP (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948486-B1 PESTICIDAL 1-ARYLPYRAZOLES MERIAL LTD (GB) 2007-11-28 EP claimed
EP-0948486-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP claimed
WO-1998028277-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO claimed
EP-0948486-B1 PESTICIDAL 1-ARYLPYRAZOLES MERIAL LTD (GB) 2007-11-28 EP disclosed
US-6403628-B1 APHIDICIDE WITH REDUCED TOXICITY TO MAMMALS RHONE-POULENC AGRO (FR) 2002-06-11 US disclosed
US-6087387-A 3-ACETYL-1-PHENYL-PYRAZOLE DERIVATIVES INSECTICIDE USEFUL IN THE CONTROL OF INSECTS, NEMATODES OR HELMINTHS RHONE-POULENC AGRO (FR) 2000-07-11 US disclosed
EP-0948486-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1998028277-A1 PESTICIDAL 1-ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO disclosed