SCHEMBL7202036

SCHEMBL7202036

COc1ccc(N(C)C(=O)c2c(O)c3c([N+](=O)[O-])cccc3n(C)c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.58
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
PGR P06401 1/20 0.49
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HSP90AA1 P07900 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ADORA3 P0DMS8 2/20 0.37

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 0.90 HDAC4 (0.54) HDAC4KMT2AMEN1PGRTP53
SCHEMBL10676102 0.89 MEN1 (0.63) HDAC4KMT2AMEN1PGRALDH1A1
SCHEMBL7203423 0.88 HDAC4 (0.52) HDAC4KMT2AMEN1PGRALDH1A1
SCHEMBL10676414 0.85 HDAC4 (0.63) HDAC4KMT2AMEN1PGRTP53
SCHEMBL5163633 0.84 HDAC4 (0.62) HDAC4KMT2AMEN1PGRTP53
SCHEMBL7236279 0.84 HDAC4 (0.62) HDAC4KMT2AMEN1PGRTP53
SCHEMBL7612553 0.82 HDAC4 (0.58) HDAC4KMT2AMEN1PGRTP53
SCHEMBL7619676 0.82 HDAC4 (0.60) HDAC4KMT2AMEN1PGRTP53
SCHEMBL7245512 0.81 HDAC4 (0.69) HDAC4KMT2AMEN1PGRTP53
SCHEMBL8145505 0.81 HDAC4 (0.59) HDAC4KMT2AMEN1PGRTP53

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