SCHEMBL7954573

SCHEMBL7954573

CC(CCc1ccncc1)Nc1nc(Cl)nc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
TMEM97 Q5BJF2 3/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7956751 0.91 KCNH2 (0.38) KCNH2TMEM97MEN1KMT2AGAA
SCHEMBL7960038 0.89 SCN9A (0.41) KCNH2TMEM97ALDH1A1
SCHEMBL7955336 0.88 GAA (0.41) KCNH2TMEM97MEN1KMT2AGAA
SCHEMBL7615508 0.87 IDH1 (0.34) KCNH2TMEM97IDH1IDH2ALDH1A1
SCHEMBL7954677 0.83 GAA (0.37) KCNH2TMEM97KMT2AGAATDP1
SCHEMBL7955256 0.82 KCNH2 (0.36) KCNH2TMEM97MEN1KMT2AGAA
SCHEMBL7956780 0.82 MEN1 (0.50) KCNH2TMEM97MEN1KMT2ATDP1
SCHEMBL7959884 0.80 L3MBTL1 (0.37) KCNH2TMEM97MEN1KMT2AGAA
SCHEMBL7954605 0.80 GAA (0.34) KCNH2TMEM97MEN1KMT2AGAA
SCHEMBL7615960 0.79 CDK1 (0.32) IDH1IDH2ALDH1A1

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