SCHEMBL7937534

SCHEMBL7937534

C#CC(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
FFAR4 Q5NUL3 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
STAT1 P42224 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ACHE P22303 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL29950797 0.88 MAPT (0.46) MAPTTP53FFAR4SMN1; SMN2LMNA
SCHEMBL21926455 0.81 MAPT (0.48) MAPTTP53FFAR4SMN1; SMN2LMNA
SCHEMBL7925000 0.79 FFAR4 (0.39) MAPTTP53FFAR4SMN1; SMN2LMNA
SCHEMBL7931633 0.78 HTT (0.47) MAPTSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL1307531 0.77 MAPT (0.46) MAPTTP53FFAR4SMN1; SMN2LMNA
SCHEMBL2176940 0.77 MAPT (0.43) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL19732933 0.73 L3MBTL1 (0.45) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL29260149 0.72 CNR1 (0.63) MAPTTP53FFAR4ALDH1A1POLB
SCHEMBL28385577 0.71 MAPT (0.43) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL17446980 0.71 ALDH1A1 (0.51) MAPTFFAR4SMN1; SMN2LMNAALDH1A1

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
US-6242478-B1 ANTICARCINOGENIC AGENTS; REPLICATION INHIBITORS OF HUMAN LYMPHADENOPATHY ASSOCIATED VIRUS(HIV) WAKE FOREST UNIVERSITY 2001-06-05 US disclosed