SCHEMBL8933535

SCHEMBL8933535

CC(=O)c1ccc2c(c1)C(c1ccccc1F)=NCC(=S)N2

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 12/20 0.66
GABRA1 P14867 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCNE2 O96020 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CHRM5 P08912 1/20 0.40

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
SCHEMBL8933492 0.87 GABRA1 (0.67) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7324382 0.82 CHRM1 (0.77) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11733109 0.80 CHRM1 (0.73) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7324283 0.80 CHRM1 (0.73) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL30320323 0.80 CHRM1 (1.00) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7950385 0.80 CHRM1 (1.00) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7328311 0.80 CHRM1 (1.00) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11825539 0.79 CHRM1 (0.72) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL7330310 0.78 CHRM1 (0.67) CHRM1GABRA1GABRA5GABRA3GABRA2
SCHEMBL11825759 0.78 CHRM1 (0.74) CHRM1GABRA1GABRA5GABRA3GABRA2

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-1996023790-A1 ACETYLIMIDAZOBENZODIAZEPINES F. HOFFMANN-LA ROCHE AG (CH) 1996-08-08 WO disclosed