SCHEMBL9684172

SCHEMBL9684172

CC(CO)c1cnc(C(F)(F)F)n(-c2c(Cl)cc(C(F)(F)F)cc2C#N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRB3 P28472 5/20 0.35
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRE P78334 4/20 0.35
GABRA6 Q16445 4/20 0.35
GABRG1 Q8N1C3 4/20 0.35
GABRG3 Q99928 4/20 0.35

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
SCHEMBL9684175 0.78 GAA (0.38) GAAKCNJ5KCNJ3SMN1; SMN2TDP1
SCHEMBL9684814 0.77 GAA (0.37) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL9730854 0.67 GABRB3 (0.38) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL9582428 0.66 GAA (0.40) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL9730755 0.66 GAA (0.43) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL9681975 0.66 GAA (0.41) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL9685317 0.65 GAA (0.38) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL10339152 0.65 GAA (0.43) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL9582286 0.64 GABRA2 (0.38) GAASMN1; SMN2TDP1GABRB3GABRP
SCHEMBL9683955 0.64 GAA (0.38) GAASMN1; SMN2TDP1GABRB3GABRP

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-0481604-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-22 EP disclosed