SCHEMBL19288317

SCHEMBL19288317

COCCOC(=O)c1ccc(NSc2cc(-c3ccc4c(c3)OCO4)c(Cl)s2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.49
NPC1 O15118 4/20 0.38
TP53 P04637 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MALT1 Q9UDY8 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCZ Q05513 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ABL1 P00519 1/20 0.35
POLQ O75417 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL19288241 0.91 PFKFB3 (0.54) PFKFB3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL19288238 0.84 PFKFB3 (0.67) PFKFB3NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL15058769 0.83 PFKFB3 (0.73) PFKFB3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL19288295 0.83 PFKFB3 (0.43) PFKFB3TP53KDM4EMAPTTSHR
SCHEMBL19288332 0.79 PFKFB3 (0.42) PFKFB3TP53SMN1; SMN2L3MBTL1KDM4E
SCHEMBL19288400 0.78 PFKFB3 (0.41) PFKFB3NPC1RAB9ASMN1; SMN2POLQ
SCHEMBL19288227 0.77 PFKFB3 (0.44) PFKFB3RAB9AL3MBTL1KDM4EMAPT
SCHEMBL19288247 0.75 KDM4E (0.39) PFKFB3SMN1; SMN2KDM4E
SCHEMBL19288303 0.74 PFKFB3 (0.52) PFKFB3KDM4EMAPTMEN1KMT2A
SCHEMBL19288480 0.73 PFKFB3 (0.42) PFKFB3NPC1TP53RAB9ASMN1; SMN2

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
EP-2794009-B1 BISARYLSULFONAMIDES USEFUL IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2017-08-30 EP disclosed