SCHEMBL28310778

SCHEMBL28310778

CCC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1[S+](C)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.48
GABRA2 P47869 20/20 0.48
GABRB2 P47870 20/20 0.48
GABRP O00591 19/20 0.48
GABRD O14764 19/20 0.48
GABRA1 P14867 19/20 0.48
GABRB1 P18505 19/20 0.48
GABRG2 P18507 19/20 0.48
GABRA5 P31644 19/20 0.48
GABRA3 P34903 19/20 0.48
GABRA4 P48169 19/20 0.48
GABRE P78334 19/20 0.48
GABRA6 Q16445 19/20 0.48
GABRG1 Q8N1C3 19/20 0.48
GABRG3 Q99928 19/20 0.48
GABRQ Q9UN88 19/20 0.48
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL25897 0.88 GABRP (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7242935 0.85 GABRP (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7244012 0.85 GABRP (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7667746 0.84 GABRP (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7027433 0.84 GABRP (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7028046 0.83 GABRP (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7249484 0.82 GABRP (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7243490 0.82 GABRP (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5202801 0.81 GABRP (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7249495 0.81 GABRP (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110037021-A A kind of acaricidal miticide composition of Synergistic type of class containing biphenyl 侨昌现代农业有限公司 2019-07-23 CN claimed
CN-110037021-A A kind of acaricidal miticide composition of Synergistic type of class containing biphenyl 侨昌现代农业有限公司 2019-07-23 CN disclosed