SCHEMBL7200053

SCHEMBL7200053

Cc1ccc(N(C)C(=O)c2c(O)c3c([N+](=O)[O-])cccc3n(C)c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
PGR P06401 1/20 0.53
SRC P12931 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NTSR1 P30989 1/20 0.37
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
PABPC1 P11940 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
SCHEMBL10676102 0.93 MEN1 (0.63) HDAC4MEN1KMT2APGRSRC
SCHEMBL7203423 0.92 HDAC4 (0.52) HDAC4MEN1KMT2APGRSRC
SCHEMBL7202036 0.90 HDAC4 (0.58) HDAC4MEN1KMT2APGRSRC
SCHEMBL5165352 0.82 HDAC4 (0.58) HDAC4MEN1KMT2APGRSRC
SCHEMBL7202009 0.82 HDAC4 (0.58) HDAC4MEN1KMT2APGRSRC
SCHEMBL19398184 0.81 HDAC4 (0.79) HDAC4MEN1KMT2APGRSRC
SCHEMBL10674240 0.80 HDAC4 (0.41) HDAC4MEN1KMT2APGRRXFP1
SCHEMBL7204453 0.79 ALDH1A1 (0.60) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL5167153 0.78 MEN1 (0.70) HDAC4MEN1KMT2APGRSRC
SCHEMBL5166744 0.77 HDAC4 (0.57) HDAC4MEN1KMT2APGRSRC

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