SCHEMBL10698854

SCHEMBL10698854

Cc1cc(C(F)(F)F)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.50
GABRA2 P47869 14/20 0.50
GABRB2 P47870 14/20 0.50
GABRP O00591 10/20 0.50
GABRD O14764 10/20 0.50
GABRA1 P14867 10/20 0.50
GABRB1 P18505 10/20 0.50
GABRG2 P18507 10/20 0.50
GABRA5 P31644 10/20 0.50
GABRA3 P34903 10/20 0.50
GABRA4 P48169 10/20 0.50
GABRE P78334 10/20 0.50
GABRA6 Q16445 10/20 0.50
GABRG1 Q8N1C3 10/20 0.50
GABRG3 Q99928 10/20 0.50
GABRQ Q9UN88 10/20 0.50
BACE1 P56817 1/20 0.44

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
SCHEMBL6976717 0.85 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14996612 0.84 MAPT (0.48)
SCHEMBL14996596 0.84 STIM1 (0.43)
SCHEMBL14996611 0.83 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27772986 0.83 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14996572 0.82 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6962955 0.81 GABRB3 (0.65) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL28833070 0.80 GABRB3 (0.72) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14996685 0.79 GAA (0.53)
SCHEMBL7713254 0.78 BACE1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286968-A2 Substituted 1-arylpyrazoles BAYER AG (DE) 1988-10-19 EP disclosed