SCHEMBL7955336

SCHEMBL7955336

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 3/20 0.39
TMEM97 Q5BJF2 3/20 0.39
NFKB1 P19838 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SCN9A Q15858 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7954677 0.92 GAA (0.37) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7955256 0.88 KCNH2 (0.36) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7959884 0.88 L3MBTL1 (0.37) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7954573 0.88 KCNH2 (0.41) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7954605 0.88 GAA (0.34) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7956751 0.87 KCNH2 (0.38) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7964656 0.86 ALDH1A1 (0.46) GAATDP1NFKB1ALDH1A1SCN9A
SCHEMBL7954597 0.86 ALDH1A1 (0.34) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7946263 0.86 KCNH2 (0.33) GAATDP1KCNH2TMEM97ALDH1A1
SCHEMBL7956780 0.83 MEN1 (0.50) TDP1KCNH2TMEM97ALDH1A1SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284710-B1 CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
EP-0934285-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998015539-A1 SUBSTITUTING 2-AMINO-4-ALKYLAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed