SCHEMBL9529058

SCHEMBL9529058

CCC(=O)Nc1c(S(=O)(=O)C(F)(Cl)Cl)c(C)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 16/20 0.42
GABRA2 P47869 9/20 0.40
GABRB2 P47870 9/20 0.40
GABRP O00591 4/20 0.40
GABRD O14764 4/20 0.40
GABRA1 P14867 4/20 0.40
GABRB1 P18505 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA4 P48169 4/20 0.40
GABRE P78334 4/20 0.40
GABRA6 Q16445 4/20 0.40
GABRG1 Q8N1C3 4/20 0.40
GABRG3 Q99928 4/20 0.40
GABRQ Q9UN88 4/20 0.40
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10425287 0.93 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10425080 0.84 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9531400 0.80 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7711235 0.78 BACE1 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10425454 0.77 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10425168 0.76 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10389983 0.76 GABRP (0.56) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7711181 0.73 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478432 0.73 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10626681 0.73 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD

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
EP-0392241-B1 SUBSTITUTED 1-ARYLPYRAZOLS BAYER AG (DE) 1993-06-02 EP disclosed
US-4971989-A PESTICIDES, MITICIDES, INSECTICIDES AND NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-11-20 US disclosed
EP-0392241-A1 Substituted 1-Arylpyrazols BAYER AG (DE) 1990-10-17 EP disclosed
EP-0287851-A1 Substituted 1-aryl pyrazoles BAYER AG (DE) 1988-10-26 EP disclosed