SCHEMBL7558207

SCHEMBL7558207

CN(C(=O)c1c(O)c2c(C=S)cccc2n(C)c1=O)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.46
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HIF1A Q16665 3/20 0.33
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ERN1 O75460 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL7722529 0.92 HDAC4 (0.46) HDAC4MEN1KMT2APGRHTR1A
SCHEMBL7201251 0.86 HDAC4 (0.48) HDAC4MEN1KMT2APGRHTR1A
SCHEMBL5164306 0.85 HDAC4 (0.48) HDAC4MEN1KMT2APGRHTR1A
SCHEMBL5163897 0.84 HDAC4 (0.64) HDAC4MEN1KMT2APGRHIF1A
SCHEMBL7614121 0.83 HDAC4 (0.46) HDAC4MEN1KMT2APGRHTR1A
SCHEMBL7722661 0.83 HDAC4 (0.46) HDAC4MEN1KMT2APGRHTR1A
SCHEMBL8151208 0.82 HDAC4 (0.38) HDAC4MEN1KMT2APGRCRHBP
SCHEMBL7862440 0.81 KMT2A (0.64) HDAC4MEN1KMT2APGRNPC1
SCHEMBL7558495 0.80 HDAC4 (0.53) HDAC4MEN1KMT2APGRALDH1A1
SCHEMBL7558383 0.78 HDAC4 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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