SCHEMBL17340100

SCHEMBL17340100

COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
TP53 P04637 2/20 0.68
OXTR P30559 4/20 0.67
AVPR1A P37288 2/20 0.67
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.54

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
SCHEMBL3366371 0.92 OXTR (0.72) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL806651 0.91 OXTR (0.66) MAPTOXTRAVPR1AKMT2ASMN1; SMN2
SCHEMBL10053474 0.85 MAPT (0.69) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL798403 0.85 OXTR (0.69) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL5643910 0.80 OXTR (1.00) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL16557537 0.80 OXTR (0.77) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL744176 0.80 OXTR (1.00) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL806760 0.79 SMN1; SMN2 (0.75) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL806656 0.79 MAPT (0.74) MAPTTP53OXTRAVPR1AKMT2A
SCHEMBL1630949 0.77 KEAP1 (0.87) MAPTTP53ALDH1A1

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-9212134-B2 Inhibitors of viral entry into mammalian cells MICROBIOTIX, INC. (US) 2015-12-15 US disclosed