SCHEMBL7956780

SCHEMBL7956780

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 3/20 0.38
TMEM97 Q5BJF2 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.34
CRHR1 P34998 1/20 0.32
CFTR P13569 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
SCN9A Q15858 1/20 0.32
TSHR P16473 1/20 0.31
G6PD P11413 1/20 0.31

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
SCHEMBL7613522 0.88 MEN1 (0.47) MEN1KMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL7959884 0.85 L3MBTL1 (0.37) MEN1KMT2ACYP1A2CYP2C19KCNH2
SCHEMBL7955336 0.83 GAA (0.41) MEN1KMT2AKCNH2TMEM97L3MBTL1
SCHEMBL7954573 0.82 KCNH2 (0.41) MEN1KMT2AKCNH2TMEM97TDP1
SCHEMBL7956751 0.79 KCNH2 (0.38) MEN1KMT2AKCNH2TMEM97L3MBTL1
SCHEMBL7954677 0.78 GAA (0.37) KMT2AKCNH2TMEM97TDP1ALDH1A1
SCHEMBL7955256 0.78 KCNH2 (0.36) MEN1KMT2ACYP1A2CYP2C19KCNH2
SCHEMBL7954605 0.75 GAA (0.34) MEN1KMT2AKCNH2TMEM97L3MBTL1
SCHEMBL7954597 0.74 ALDH1A1 (0.34) MEN1KMT2ACYP1A2CYP2C19KCNH2
SCHEMBL7946263 0.74 KCNH2 (0.33) KCNH2TMEM97TDP1ALDH1A1SCN9A

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