SCHEMBL13883261

SCHEMBL13883261

FC(F)(F)Oc1ccc(Nc2nc(N/N=C/c3ccccc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
MAPT P10636 10/20 0.59
LMNA P02545 9/20 0.59
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
GAA P10253 4/20 0.59
HTT P42858 3/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TEX264 Q9Y6I9 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
PIKFYVE Q9Y2I7 1/20 0.55
NPSR1 Q6W5P4 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8909361 0.95 CTSS (0.63) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL608154 0.90 CTSS (0.58) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL608153 0.90 CTSS (0.58) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL8909541 0.90 KMT2A (0.57) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL8909400 0.90 MAPT (0.57) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL13882993 0.90 KMT2A (0.57) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL8908902 0.88 CTSS (0.58) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL8908931 0.88 CTSS (0.58) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL8910405 0.88 CTSS (0.57) CTSSCTSKMAPTLMNAKMT2A
SCHEMBL8910056 0.87 MAPT (0.59) CTSSCTSKMAPTLMNAKMT2A

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
WO-2009048750-A2 INSECTICIDAL (1,3,5)-TRIAZINYL PHENYL HYDRAZONES DOW AGROSCIENCES LLC (US) 2009-04-16 WO disclosed