SCHEMBL8694397

SCHEMBL8694397

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
RXRA P19793 1/20 0.33
MGLL Q99685 1/20 0.32
DHODH Q02127 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
SCHEMBL8695339 0.89 KMT2A (0.34) KMT2ALMNADHODH
SCHEMBL8694214 0.86 KMT2A (0.36) KMT2ARXRAMGLL
SCHEMBL8696274 0.85 KMT2A (0.34) KMT2A
SCHEMBL8698306 0.83 BRD4 (0.34) KMT2ARXRA
SCHEMBL8695407 0.81 LMNA (0.33) KMT2ALMNARXRAMGLLDHODH
SCHEMBL8695644 0.80 ALDH1A1 (0.32) LMNA
SCHEMBL8695411 0.80 BACE1 (0.36) KMT2ALMNAMGLL
SCHEMBL8695415 0.79 RXRA (0.31) KMT2ARXRA
SCHEMBL8698250 0.77
SCHEMBL8898352 0.73 DHODH (0.31) DHODH

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