SCHEMBL9704966

SCHEMBL9704966

CCOC(=O)c1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1-n1cccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
GABRB3 P28472 3/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
MAPT P10636 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9310988 0.85 GABRB3 (0.55) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
SCHEMBL10560642 0.84 GABRB3 (0.54) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
SCHEMBL9209147 0.83 GABRB3 (0.53) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
Ammonia Solution, Strong SCHEMBL10557787 0.83 GABRB3 (0.53) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
SCHEMBL9211791 0.83 NPC1 (0.63) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
SCHEMBL9705715 0.81 GABRB3 (0.59) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
SCHEMBL10400843 0.77 NPC1 (0.59) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
SCHEMBL9703352 0.75 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9212439 0.75 GABRB3 (0.46) SMN1; SMN2GABRB3GABRA2GABRB2GABRP
SCHEMBL10769999 0.74 GABRB3 (0.51) SMN1; SMN2GABRB3GABRA2GABRB2GABRP

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
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed