SCHEMBL8698306

SCHEMBL8698306

COCC(C)n1c(C(F)(F)F)nc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.34
KMT2A Q03164 1/20 0.33
BAZ2A Q9UIF9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RXRA P19793 1/20 0.30

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
SCHEMBL8696274 0.89 KMT2A (0.34) KMT2A
SCHEMBL8694214 0.89 KMT2A (0.36) KMT2ARXRA
SCHEMBL8694397 0.83 KMT2A (0.36) KMT2ARXRA
SCHEMBL8695339 0.82 KMT2A (0.34) KMT2A
SCHEMBL8695644 0.81 ALDH1A1 (0.32)
SCHEMBL8695411 0.79 BACE1 (0.36) KMT2A
SCHEMBL8698250 0.77
SCHEMBL8695407 0.77 LMNA (0.33) KMT2ARXRA
SCHEMBL8695415 0.74 RXRA (0.31) KMT2ARXRA
SCHEMBL8914465 0.73 BCAT1 (0.37)

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