SCHEMBL8183755

SCHEMBL8183755

CC[S+]([O-])c1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Br)c1N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 19/20 0.42
GABRA2 P47869 14/20 0.42
GABRB2 P47870 14/20 0.42
GABRP O00591 10/20 0.42
GABRD O14764 10/20 0.42
GABRA1 P14867 10/20 0.42
GABRB1 P18505 10/20 0.42
GABRG2 P18507 10/20 0.42
GABRA5 P31644 10/20 0.42
GABRA3 P34903 10/20 0.42
GABRA4 P48169 10/20 0.42
GABRE P78334 10/20 0.42
GABRA6 Q16445 10/20 0.42
GABRG1 Q8N1C3 10/20 0.42
GABRG3 Q99928 10/20 0.42
GABRQ Q9UN88 10/20 0.42

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
SCHEMBL7086725 0.85 GABRA2 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8183314 0.84
SCHEMBL26584 0.77 GABRA2 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7199555 0.77 GABRA2 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7675094 0.76 GABRP (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10582758 0.76 GABRA2 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL28106579 0.74 GABRA2 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7675097 0.74 GABRP (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL13442984 0.71 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL22894520 0.71 MBOAT4 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015910-A SYSTEMIC INSECTICIDES WHICH ARE NONTOXIC TO MAMMALS AND AQUATIC ORGANISMS RHONE-POULENC INC. (US) 2000-01-18 US disclosed
US-5883112-A INSECTICIDES RHONE-POULENC INC. (US) 1999-03-16 US disclosed
US-5814652-A SYSTEMIC INSECTICIDES RHONE-POULENC INC. (US) 1998-09-29 US disclosed