SCHEMBL5163633

SCHEMBL5163633

COc1ccc(N(C)C(=O)c2c(O)c3c(N(C)C)cccc3n(C)c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.62
MEN1 O00255 1/20 0.53
PGR P06401 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
SRC P12931 1/20 0.38
AHR P35869 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7202009 0.89 HDAC4 (0.58) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL10676414 0.88 HDAC4 (0.63) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL10675692 0.88 KMT2A (0.68) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL7236279 0.87 HDAC4 (0.62) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL7619676 0.85 HDAC4 (0.60) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL7245512 0.85 HDAC4 (0.69) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL8145505 0.85 HDAC4 (0.59) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL7202036 0.84 HDAC4 (0.58) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL7612553 0.84 HDAC4 (0.58) HDAC4MEN1PGRKMT2AALDH1A1
SCHEMBL7236257 0.83 HDAC4 (0.73) HDAC4MEN1PGRKMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224172-B1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2007-04-04 EP claimed
US-6605616-B1 Autoimmune diseases; inflammation ACTIVE BIOTECH AB (SE) 2003-08-12 US claimed
US-6395750-B1 Includes laquinimod, N-ethyl-N-phenyl-1,2-dihydro-4-hydroxy-5-chloro-1-methyl-2-oxo-quinoline-3-carboxamide and its salts; breat or prostate cancer ACTIVE BIOTECH AB (SE) 2002-05-28 US claimed
US-6605616-B1 Autoimmune diseases; inflammation ACTIVE BIOTECH AB (SE) 2003-08-12 US disclosed
EP-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed