SCHEMBL27323643

SCHEMBL27323643

O=[N+]([O-])c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C[SH](=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.41
GABRB2 P47870 5/20 0.41
GABRB3 P28472 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 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
SCHEMBL28767235 0.81 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL27310558 0.81 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL27321986 0.81 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9780208 0.79 GABRA2 (0.42) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL7713311 0.76 GABRB3 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL6055644 0.75 GABRA2 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL6055905 0.75 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL27321980 0.75 GABRA2 (0.45) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9780199 0.74 GABRA2 (0.41) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10654236 0.74 CYP3A4 (0.50) GABRA2GABRB2GABRB3GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027341-C N-Phenylpyrazole Derivative Insecticides MAY & BAKER LTD (FR) 1995-01-11 CN claimed
CN-1027341-C N-Phenylpyrazole Derivative Insecticides MAY & BAKER LTD (FR) 1995-01-11 CN disclosed
CN-88103601-A N-PHENYLPYRAZOLE DERIVATIVES 1988-12-28 CN disclosed