SCHEMBL20528672

SCHEMBL20528672

CCc1c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)nn(C(N)=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 7/20 0.39
GABRA2 P47869 6/20 0.39
GABRB2 P47870 6/20 0.39
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39
GABRQ Q9UN88 3/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3625648 0.94 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1958486 0.81 RORC (0.40) HPGDKMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL20563894 0.78 TDP1 (0.38) HPGDMEN1KMT2AL3MBTL1KDM4E
SCHEMBL19990336 0.76 RORC (0.38) KMT2AL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1531087 0.75 MAPT (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1531174 0.74 LMNA (0.47) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1531242 0.73 LMNA (0.46) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL1531245 0.71 ASAH1 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1531258 0.70 USP2 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL1531177 0.70 GABRB3 (0.38) GABRB3GABRA2GABRB2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606912-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-02-12 EP disclosed
WO-2018184970-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-10-11 WO disclosed