SCHEMBL4746863

SCHEMBL4746863

CCOc1ccc(Sc2ccc(S(=O)(=O)N3CCC(c4ccc(Cl)cc4)CC3)c3nonc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACLY P53396 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
MAPK1 P28482 1/20 0.37
APOBEC3A P31941 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP5 P45974 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
USP3 Q9Y6I4 1/20 0.36

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
SCHEMBL4742206 0.90 ALDH1A1 (0.43) MAPTTP53ALDH1A1GAAPOLB
SCHEMBL4746102 0.86 ACLY (0.44) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL4786708 0.86 MAPT (0.46) MAPTTP53ALDH1A1GAAPOLB
SCHEMBL8161152 0.83 TP53 (0.45) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL4746166 0.80 TSHR (0.43) MAPTALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL4746814 0.80 TP53 (0.43) MAPTTP53ALDH1A1POLBSMN1; SMN2
SCHEMBL4788634 0.79 SMN1; SMN2 (0.48) MAPTALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL4746067 0.78 KMT2A (0.46) MAPTTP53ALDH1A1POLBACLY
SCHEMBL4745401 0.78 TSHR (0.47) MAPTTP53ALDH1A1GAASMN1; SMN2
SCHEMBL8160491 0.77 ACLY (0.50) MAPTTP53ALDH1A1SMN1; SMN2TDP1

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
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO claimed