SCHEMBL7954677

SCHEMBL7954677

Cc1nc(Cl)nc(NC(C)CCc2ccncc2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 2/20 0.36
TMEM97 Q5BJF2 2/20 0.36
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.33
SIRT5 Q9NXA8 1/20 0.33
PIK3CA P42336 1/20 0.33
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CRHR1 P34998 1/20 0.32
TSHR P16473 1/20 0.32

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 0.92 GAA (0.41) GAATDP1KCNH2TMEM97SCN9A
SCHEMBL7607346 0.84 CDK2 (0.34) GAATDP1ALDH1A1PIK3CACRHR1
SCHEMBL7955256 0.83 KCNH2 (0.36) GAATDP1KCNH2TMEM97SCN9A
SCHEMBL7954573 0.83 KCNH2 (0.41) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7959884 0.83 L3MBTL1 (0.37) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7954605 0.83 GAA (0.34) GAATDP1KCNH2TMEM97SCN9A
SCHEMBL7956751 0.82 KCNH2 (0.38) GAATDP1KCNH2TMEM97SCN9A
SCHEMBL7946263 0.81 KCNH2 (0.33) GAATDP1KCNH2TMEM97SCN9A
SCHEMBL7954597 0.81 ALDH1A1 (0.34) GAATDP1KCNH2TMEM97SCN9A
SCHEMBL7964656 0.79 ALDH1A1 (0.46) GAATDP1SCN9AALDH1A1SIRT5

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