SCHEMBL28106579

SCHEMBL28106579

Nc1c(Br)cnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 20/20 0.54
GABRB2 P47870 20/20 0.54
GABRP O00591 19/20 0.54
GABRD O14764 19/20 0.54
GABRA1 P14867 19/20 0.54
GABRB1 P18505 19/20 0.54
GABRG2 P18507 19/20 0.54
GABRB3 P28472 19/20 0.54
GABRA5 P31644 19/20 0.54
GABRA3 P34903 19/20 0.54
GABRA4 P48169 19/20 0.54
GABRE P78334 19/20 0.54
GABRA6 Q16445 19/20 0.54
GABRG1 Q8N1C3 19/20 0.54
GABRG3 Q99928 19/20 0.54
GABRQ Q9UN88 19/20 0.54
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10670241 0.86 GABRB3 (0.54) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10630751 0.83 GABRA2 (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10371826 0.82 GABRB3 (0.53) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10372820 0.81 GABRA2 (0.53) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL3176469 0.78 GABRA2 (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL8026458 0.78 GABRA2 (0.54) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9527295 0.78 GABRP (0.61) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL3169397 0.77 GABRA2 (0.50) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10625845 0.77 GABRA2 (0.55) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10848533 0.77 GABRA2 (0.53) GABRA2GABRB2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187896-A Ultrasonic atomization microwave radiation integration system is for the single or multiple alkyl derivative of arylpyrazole 中南民族大学 2016-12-07 CN disclosed