SCHEMBL4025728

SCHEMBL4025728

CCCC1(CCC)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.70
LMNA P02545 4/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
PGR P06401 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
TSHR P16473 1/20 0.70
ALOX12 P18054 1/20 0.70
NFKB1 P19838 1/20 0.70
CYP2C19 P33261 1/20 0.70
RAB9A P51151 1/20 0.70
PDE4D Q08499 1/20 0.70
SIRT6 Q8N6T7 1/20 0.47
MAPT P10636 2/20 0.43

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 0.82 AR (1.00) ARLMNAMEN1KMT2ANPSR1
Nilutamide SCHEMBL1462011 0.82 AR (1.00) ARLMNAMEN1KMT2ANPSR1
Nilutamide SCHEMBL12670 0.82 AR (1.00) ARLMNAMEN1KMT2ANPSR1
Nilutamide SCHEMBL5579273 0.82 AR (0.89) ARLMNAMEN1KMT2ANPSR1
Nilutamide SCHEMBL28562851 0.81 AR (0.98) ARLMNAMEN1KMT2ANPSR1
SCHEMBL10554082 0.80 AR (0.73) ARLMNAMEN1KMT2ANPSR1
SCHEMBL332500 0.80 AR (0.73) ARLMNAMEN1KMT2ANPSR1
SCHEMBL332412 0.80 AR (0.73) ARLMNAMEN1KMT2ANPSR1
SCHEMBL10554935 0.80 AR (0.73) ARLMNAMEN1KMT2ANPSR1
SCHEMBL629458 0.78 AR (0.74) ARLMNAMEN1KMT2ANPSR1

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