SCHEMBL7946263

SCHEMBL7946263

CC(CCc1ccncc1)Nc1nc(Cl)nc([S+](C)[O-])n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SCN9A Q15858 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL7610838 0.86 CDK1 (0.32)
SCHEMBL7955336 0.86 GAA (0.41) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954677 0.81 GAA (0.37) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7959884 0.78 L3MBTL1 (0.37) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954605 0.78 GAA (0.34) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7955256 0.78 KCNH2 (0.36) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954573 0.78 KCNH2 (0.41) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7956751 0.77 KCNH2 (0.38) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954597 0.76 ALDH1A1 (0.34) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7964656 0.74 ALDH1A1 (0.46) GAATDP1ALDH1A1SCN9ASIRT5

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-6284710-B1 CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed