SCHEMBL4030854

SCHEMBL4030854

CC1(C)C(=O)NC(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.73
LMNA P02545 5/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
CYP3A4 P08684 3/20 0.73
MEN1 O00255 2/20 0.73
CYP1A2 P05177 2/20 0.73
PGR P06401 2/20 0.73
CYP2C9 P11712 2/20 0.73
TSHR P16473 2/20 0.73
CYP2C19 P33261 2/20 0.73
KMT2A Q03164 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
TP53 P04637 1/20 0.73
CYP2D6 P10635 1/20 0.73
ALOX12 P18054 1/20 0.73
NFKB1 P19838 1/20 0.73
RAB9A P51151 1/20 0.73
PDE4D Q08499 1/20 0.73
SIRT6 Q8N6T7 1/20 0.54
POLB P06746 1/20 0.46

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
Nilutamide SCHEMBL29351021 0.85 AR (1.00) ARLMNASMN1; SMN2CYP3A4MEN1
Nilutamide SCHEMBL12670 0.85 AR (1.00) ARLMNASMN1; SMN2CYP3A4MEN1
Nilutamide SCHEMBL1462011 0.85 AR (1.00) ARLMNASMN1; SMN2CYP3A4MEN1
Nilutamide SCHEMBL28562851 0.84 AR (0.98) ARLMNASMN1; SMN2CYP3A4MEN1
Nilutamide SCHEMBL20695037 0.80 AR (0.89) ARLMNASMN1; SMN2CYP3A4MEN1
Nilutamide SCHEMBL5579273 0.80 AR (0.89) ARLMNASMN1; SMN2CYP3A4MEN1
SCHEMBL8407306 0.78 AR (0.78) ARLMNASMN1; SMN2CYP3A4MEN1
SCHEMBL4026041 0.77 AR (0.70) ARLMNASMN1; SMN2CYP3A4MEN1
SCHEMBL9737180 0.75 AR (0.52) ARLMNASMN1; SMN2CYP3A4MEN1
SCHEMBL4023707 0.75 AR (0.73) ARPGR

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-2009097996-A1 USE OF SUBSTITUTED PHENYLIMIDAZOLIDINES FOR PRODUCING MEDICAMENTS FOR TREATING METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed