SCHEMBL7203423

SCHEMBL7203423

CN(C(=O)c1c(O)c2c([N+](=O)[O-])cccc2n(C)c1=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PGR P06401 1/20 0.51
GPBAR1 Q8TDU6 9/20 0.37
SRC P12931 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP4B1 P13584 1/20 0.35
CYP2B6 P20813 1/20 0.35

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
SCHEMBL7200053 0.92 HDAC4 (0.54) HDAC4MEN1KMT2APGRSRC
SCHEMBL10676102 0.91 MEN1 (0.63) HDAC4MEN1KMT2APGRSRC
SCHEMBL7202036 0.88 HDAC4 (0.58) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL5165280 0.85 HDAC4 (0.58) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL5166744 0.84 HDAC4 (0.57) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL7618291 0.82 HDAC4 (0.52) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL7002185 0.81 HDAC4 (0.76) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL7623491 0.81 HDAC4 (0.54) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL6999935 0.80 HDAC4 (0.63) HDAC4MEN1KMT2APGRGPBAR1
SCHEMBL7558495 0.80 HDAC4 (0.53) HDAC4MEN1KMT2APGRGPBAR1

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
US-6605616-B1 Autoimmune diseases; inflammation ACTIVE BIOTECH AB (SE) 2003-08-12 US disclosed