SCHEMBL6926985

SCHEMBL6926985

CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C#N

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 12/20 0.57
GABRD O14764 12/20 0.57
GABRA1 P14867 12/20 0.57
GABRB1 P18505 12/20 0.57
GABRG2 P18507 12/20 0.57
GABRB3 P28472 12/20 0.57
GABRA5 P31644 12/20 0.57
GABRA3 P34903 12/20 0.57
GABRA2 P47869 12/20 0.57
GABRB2 P47870 12/20 0.57
GABRA4 P48169 12/20 0.57
GABRE P78334 12/20 0.57
GABRA6 Q16445 12/20 0.57
GABRG1 Q8N1C3 12/20 0.57
GABRG3 Q99928 12/20 0.57
GABRQ Q9UN88 12/20 0.57

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
SCHEMBL7713033 0.81 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7713040 0.81 GABRB3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7707263 0.80 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7711379 0.79 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7969483 0.78 MAOB (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6923209 0.78 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6924684 0.78 GABRA2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6923866 0.78 GABRA2 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6055657 0.75 GABRB3 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7713311 0.75 GABRB3 (0.41) 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 4 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
WO-2001007413-A1 1-ARYL-3-THIOALKYL PYRAZOLES, THE SYNTHESIS THEREOF AND THE USE THEREOF AS INSECTICIDES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-02-01 WO 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
WO-2001007413-A1 1-ARYL-3-THIOALKYL PYRAZOLES, THE SYNTHESIS THEREOF AND THE USE THEREOF AS INSECTICIDES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed