SCHEMBL6923217

SCHEMBL6923217

CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 1.00
GABRD O14764 20/20 1.00
GABRA1 P14867 20/20 1.00
GABRB1 P18505 20/20 1.00
GABRG2 P18507 20/20 1.00
GABRB3 P28472 20/20 1.00
GABRA5 P31644 20/20 1.00
GABRA3 P34903 20/20 1.00
GABRA2 P47869 20/20 1.00
GABRB2 P47870 20/20 1.00
GABRA4 P48169 20/20 1.00
GABRE P78334 20/20 1.00
GABRA6 Q16445 20/20 1.00
GABRG1 Q8N1C3 20/20 1.00
GABRG3 Q99928 20/20 1.00
GABRQ Q9UN88 20/20 1.00

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
SCHEMBL6928213 0.91 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6926663 0.83 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7967758 0.83 GABRP (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6344371 0.82 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6924626 0.82 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927865 0.81 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22894492 0.81 GABRP (0.80) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6926890 0.81 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927164 0.79 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927512 0.79 GABRP (1.00) 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