SCHEMBL7559757

SCHEMBL7559757

Cc1ccc(C=S)c2c(O)c(C(=O)N(C)c3ccc(F)cc3F)c(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PIK3C3 Q8NEB9 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL7558487 0.85 MAPT (0.41) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7558786 0.83 MAPT (0.41) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7557389 0.79 MAPT (0.43) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7558377 0.77 MAPT (0.42) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7559768 0.76 MAPT (0.48) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7563264 0.76 MAPT (0.38) MAPTHSD17B1HSD17B2MEN1KMT2A
SCHEMBL7556667 0.75 HSD17B1 (0.34) MAPTHSD17B1HSD17B2HTR1AHTR2A
SCHEMBL7722529 0.73 HDAC4 (0.46) MAPTHTR1AHTR2AHTR7HTR6
SCHEMBL7557878 0.72 MAPT (0.39) MAPTHSD17B1HSD17B2PIK3C3PIK3CA
SCHEMBL7563319 0.71 HTR1A (0.36) MAPTHSD17B1HSD17B2HTR1AHTR2A

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 2 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 disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed