SCHEMBL8533140

SCHEMBL8533140

COc1cc(C)c(S(=O)(=O)NC(=N)N)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.50
F2 P00734 4/20 0.47
PLG P00747 1/20 0.43
AVPR1A P37288 6/20 0.39
AVPR1B P47901 4/20 0.39
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 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
SCHEMBL24136540 0.86 NMT1 (0.48) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL13663687 0.84 NMT1 (0.49) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL20781368 0.84 NMT1 (0.49) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL6432992 0.83 NMT1 (0.48) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL13662187 0.81 F2 (0.47) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL24476908 0.79 NMT1 (0.44) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL2372022 0.78 NMT1 (0.57) NMT1F2AVPR1AAVPR1BNR3C1
SCHEMBL2372018 0.76 NMT1 (0.56) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL19147239 0.76 NMT1 (0.54) NMT1F2PLGAVPR1AAVPR1B
SCHEMBL10526657 0.74 NMT1 (0.49) NMT1F2AVPR1AAVPR1BNR3C1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5831001-A ADMINISTERING OLIGOPEPTIDE WITH ARGININE UNITS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1998-11-03 US disclosed
US-5789531-A Peptide-based inhibitors of HIV replication ALLEX BIOPHARMACEUTICALS, INC. (CA) 1998-08-04 US disclosed
US-5646120-A OLIGO- AND POLYARGININE AND DERIVATIVES ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-07-08 US disclosed