SCHEMBL9531410

SCHEMBL9531410

CCOC(=O)CN(C(=O)CC)c1c(SC(F)(F)F)c(C)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 15/20 0.45
GABRA2 P47869 10/20 0.45
GABRB2 P47870 10/20 0.45
GABRP O00591 6/20 0.45
GABRD O14764 6/20 0.45
GABRA1 P14867 6/20 0.45
GABRB1 P18505 6/20 0.45
GABRG2 P18507 6/20 0.45
GABRA5 P31644 6/20 0.45
GABRA3 P34903 6/20 0.45
GABRA4 P48169 6/20 0.45
GABRE P78334 6/20 0.45
GABRA6 Q16445 6/20 0.45
GABRG1 Q8N1C3 6/20 0.45
GABRG3 Q99928 6/20 0.45
GABRQ Q9UN88 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL10333102 0.83 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10442935 0.79 L3MBTL1 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9531400 0.74 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055750 0.73 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6055598 0.73 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9527608 0.72 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5859100 0.72 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9528196 0.71 L3MBTL1 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7711355 0.71 GABRP (0.64) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10667070 0.70 GABRB3 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2290857-A None JP disclosed
EP-0392241-B1 SUBSTITUTED 1-ARYLPYRAZOLS BAYER AG (DE) 1993-06-02 EP disclosed
JP-H02290857-A SUBSTITUTED 1-ARYLPYRAZOLE BAYER AG 1990-11-30 JP 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