SCHEMBL8694102

SCHEMBL8694102

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
SIRT6 Q8N6T7 1/20 0.39
KAT2B Q92831 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.36
PTGS2 P35354 1/20 0.36
RAD51 Q06609 1/20 0.36
SCN2A Q99250 1/20 0.36
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL9343594 0.82 ALDH1A1 (0.45) KMT2AALDH1A1LMNAMAPTPOLB
SCHEMBL7887352 0.80 GSK3A (0.43) GSK3AGSK3BKMT2AALDH1A1MAPT
SCHEMBL7888772 0.80 GSK3A (0.40) GSK3AGSK3BKMT2AALDH1A1LMNA
SCHEMBL8700806 0.80 GSK3A (0.37) GSK3AGSK3BKMT2AALDH1A1PTGS1
SCHEMBL8993528 0.80 SMN1; SMN2 (0.44) GSK3AGSK3BKMT2AALDH1A1LMNA
SCHEMBL7846203 0.80 GSK3A (0.37) GSK3AGSK3BKMT2AALDH1A1HTT
SCHEMBL6920290 0.78 VCAM1 (0.41) SIRT6KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7557543 0.78 GSK3A (0.46) GSK3AGSK3BALDH1A1PTGS1LMNA
SCHEMBL7047509 0.76 NPC1 (0.42) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL3243992 0.74 ALDH1A1 (0.38) SIRT6KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998018768-A1 HERBICIDAL 3-(BICYCLIC NITROGEN-CONTAINING HETEROCYCLE)-SUBSTITUTED-1-METHYL-6-TRIFLUOROMETHYLURACILS FMC CORPORATION (US) 1998-05-07 WO disclosed
US-5661108-A CONTROLLING PLANT GROWTH FMC CORPORATION (US) 1997-08-26 US disclosed