SCHEMBL8005353

SCHEMBL8005353

CC(C)(NCc1ccc(F)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AR P10275 6/20 0.44
LMNA P02545 2/20 0.42
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8015251 0.87 AR (0.46) CNR1MEN1KMT2AMAPTHTT
SCHEMBL8017617 0.78 AR (0.51) ARPGR
SCHEMBL8024928 0.78 AR (0.48) AR
SCHEMBL6522070 0.77 CNR1 (0.56) CNR1MEN1KMT2AMAPTHTT
SCHEMBL8021637 0.74 RORC (0.40) CNR1ARPGR
SCHEMBL8016599 0.74 AR (0.49) AR
SCHEMBL13745415 0.72 AR (0.44) CNR1MAPTARLMNA
SCHEMBL14295100 0.71 NTRK1 (0.44) KMT2ASMN1; SMN2AR
SCHEMBL13746288 0.71 MAPK14 (0.38) AR
SCHEMBL8024022 0.70 SMARCA2 (0.43) MAPTHTTSMN1; SMN2ARLMNA

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-2009097999-A1 ARYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed