SCHEMBL11401697

SCHEMBL11401697

Cc1ccc2c(=S)c([S+](C)[O-])cn(C)c2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PRKCA P17252 1/20 0.32
GSK3B P49841 1/20 0.32
CDK2 P24941 1/20 0.31
ALDH1A1 P00352 1/20 0.31
IMPDH2 P12268 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL7317623 0.82 TP53 (0.38) MAPTPRKCAGSK3BCDK2ALDH1A1
SCHEMBL9869210 0.80 KIF11 (0.41) GSK3BALDH1A1
SCHEMBL9796410 0.74 TRPA1 (0.36) MAPTRXFP1PRKCAGSK3BCDK2
SCHEMBL11388955 0.73 MAPT (0.40) MAPTRXFP1ALDH1A1TP53
SCHEMBL5985272 0.69 TP53 (0.43) PRKCAGSK3BCDK2ALDH1A1IMPDH2
SCHEMBL17443787 0.68 BRD4 (0.44) ALDH1A1
SCHEMBL10619004 0.67 ALDH1A1 (0.36) MAPTRXFP1PRKCAGSK3BALDH1A1
SCHEMBL11060070 0.67 SCN9A (0.37) MAPTPRKCAGSK3BCDK2ALDH1A1
SCHEMBL13806311 0.66 TDP1 (0.41) PRKCAGSK3BALDH1A1IMPDH2TP53
SCHEMBL12410857 0.66 ALDH1A1 (0.37) MAPTPRKCAGSK3BCDK2ALDH1A1

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
US-4302460-A 4-Quinolinones having antihypertensive activity THE BOOTS COMPANY LIMITED (GB) 1981-11-24 US disclosed