SCHEMBL9534492

SCHEMBL9534492

CC(=O)c1ccc(N)c(Sc2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ICAM1 P05362 1/20 0.44
SELE P16581 1/20 0.44
VCAM1 P19320 1/20 0.44
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GCK P35557 1/20 0.42
PDE7A Q13946 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9538024 0.79 PDE7A (0.65) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL9537872 0.78 HPGD (0.59) ALDH1A1MAPTPOLBL3MBTL1HPGD
SCHEMBL9536481 0.77 ALDH1A1 (0.43) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL9538507 0.77 PTGS2 (0.55) ALDH1A1MAPTPOLBKMT2AHPGD
SCHEMBL29356488 0.76 ALDH1A1 (0.80) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL4880369 0.76 ALDH1A1 (0.61) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL9535335 0.74 MAPT (0.53) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL9535794 0.74 CREBBP (0.40) ALDH1A1MAPTPOLBL3MBTL1GAA
SCHEMBL1338872 0.73 ALDH1A1 (0.51) ALDH1A1MAPTPOLBL3MBTL1KMT2A
SCHEMBL27271667 0.73 ALDH1A1 (0.50) ALDH1A1MAPTPOLBL3MBTL1ICAM1

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-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed