SCHEMBL6923209

SCHEMBL6923209

CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.58
GABRD O14764 20/20 0.58
GABRA1 P14867 20/20 0.58
GABRB1 P18505 20/20 0.58
GABRG2 P18507 20/20 0.58
GABRB3 P28472 20/20 0.58
GABRA5 P31644 20/20 0.58
GABRA3 P34903 20/20 0.58
GABRA2 P47869 20/20 0.58
GABRB2 P47870 20/20 0.58
GABRA4 P48169 20/20 0.58
GABRE P78334 20/20 0.58
GABRA6 Q16445 20/20 0.58
GABRG1 Q8N1C3 20/20 0.58
GABRG3 Q99928 20/20 0.58
GABRQ Q9UN88 20/20 0.58

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
SCHEMBL6926985 0.78 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6926644 0.77 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6928213 0.74 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6974157 0.73 GABRA2 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8444622 0.71 GABRA2 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27477232 0.71 GABRA2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7815238 0.71 GABRA2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7159757 0.70 GABRA2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9768186 0.68 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7580327 0.68 GABRP (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518266-B1 1- Aryl-3-thioalkyl pyrazoles, the synthesis thereof and the use thereof as insecticides 3-DIMENSIONAL PHARMACEUTICALS 2003-02-11 US claimed
US-6518266-B1 1- Aryl-3-thioalkyl pyrazoles, the synthesis thereof and the use thereof as insecticides 3-DIMENSIONAL PHARMACEUTICALS 2003-02-11 US disclosed