SCHEMBL7956751

SCHEMBL7956751

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
TMEM97 Q5BJF2 3/20 0.38
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SCN9A Q15858 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
LMNA P02545 1/20 0.30
CRHR1 P34998 1/20 0.30
KCNH3 Q9ULD8 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
SCHEMBL7954573 0.91 KCNH2 (0.41) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7615960 0.87 CDK1 (0.32) ALDH1A1MAPK1
SCHEMBL7955336 0.87 GAA (0.41) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954677 0.82 GAA (0.37) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7955256 0.81 KCNH2 (0.36) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7960038 0.80 SCN9A (0.41) KCNH2TMEM97ALDH1A1SCN9ASIRT5
SCHEMBL7956780 0.79 MEN1 (0.50) KCNH2TMEM97TDP1ALDH1A1MEN1
SCHEMBL7959884 0.79 L3MBTL1 (0.37) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954605 0.79 GAA (0.34) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7615508 0.79 IDH1 (0.34) KCNH2TMEM97ALDH1A1MAPK1

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