SCHEMBL6168324

SCHEMBL6168324

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1SC(C)(F)F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.56
GABRD O14764 20/20 0.56
GABRA1 P14867 20/20 0.56
GABRB1 P18505 20/20 0.56
GABRG2 P18507 20/20 0.56
GABRB3 P28472 20/20 0.56
GABRA5 P31644 20/20 0.56
GABRA3 P34903 20/20 0.56
GABRA2 P47869 20/20 0.56
GABRB2 P47870 20/20 0.56
GABRA4 P48169 20/20 0.56
GABRE P78334 20/20 0.56
GABRA6 Q16445 20/20 0.56
GABRG1 Q8N1C3 20/20 0.56
GABRG3 Q99928 20/20 0.56
GABRQ Q9UN88 20/20 0.56

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
SCHEMBL9489922 0.91 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7707055 0.90 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9248738 0.90 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7707207 0.88 GABRP (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7713492 0.87 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9531132 0.85 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12045240 0.84 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7711342 0.84 GABRB3 (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7692554 0.83 GAA (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6168072 0.83 GABRP (0.59) 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
US-RE37495-E1 Substituted 1-arylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US claimed
US-5580843-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US claimed
JP-8041031-A None JP disclosed
EP-0659745-B1 Substituted 1-aryl pyrazoles BAYER CROPSCIENCE AG (DE) 2005-07-27 EP disclosed
US-RE37495-E1 Substituted 1-arylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
US-5580843-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
JP-H0841031-A SUBSTITUTED 1-ARYLPYRAZOLES BAYER AG 1996-02-13 JP disclosed
EP-0659745-A1 Substituted 1-aryl pyrazoles BAYER AG (DE) 1995-06-28 EP disclosed