SCHEMBL7955256

SCHEMBL7955256

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
TMEM97 Q5BJF2 3/20 0.36
YTHDC1 Q96MU7 1/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 4/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
SCN9A Q15858 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL7955336 0.88 GAA (0.41) KCNH2TMEM97YTHDC1GAATDP1
SCHEMBL7673044 0.87 CDK2 (0.34) YTHDC1GAATDP1ALDH1A1MAPK1
SCHEMBL7954677 0.83 GAA (0.37) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954573 0.82 KCNH2 (0.41) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7956751 0.81 KCNH2 (0.38) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954605 0.80 GAA (0.34) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7959884 0.80 L3MBTL1 (0.37) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7954597 0.78 ALDH1A1 (0.34) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7946263 0.78 KCNH2 (0.33) KCNH2TMEM97GAATDP1ALDH1A1
SCHEMBL7956780 0.78 MEN1 (0.50) KCNH2TMEM97TDP1ALDH1A1L3MBTL1

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