SCHEMBL7558495

SCHEMBL7558495

CN(C(=O)c1c(O)c2c(C=S)cccc2n(C)c1=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
PGR P06401 1/20 0.52
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
SRC P12931 1/20 0.38
GPBAR1 Q8TDU6 9/20 0.38
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7862440 0.90 KMT2A (0.64) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL8145505 0.88 HDAC4 (0.59) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7558383 0.87 HDAC4 (0.71) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL5165280 0.86 HDAC4 (0.58) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL5166744 0.85 HDAC4 (0.57) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL8144306 0.84 HDAC4 (0.58) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7002185 0.82 HDAC4 (0.76) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7623491 0.82 HDAC4 (0.54) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7717984 0.81 HDAC4 (0.53) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL6999935 0.81 HDAC4 (0.63) HDAC4MEN1KMT2APGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP claimed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO claimed
US-6121287-A Quinoline derivatives ACTIVE BIOTECH AB (SE) 2000-09-19 US claimed
EP-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP disclosed
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 disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed
US-6121287-A Quinoline derivatives ACTIVE BIOTECH AB (SE) 2000-09-19 US disclosed