SCHEMBL8047441

SCHEMBL8047441

O=[N+]([O-])c1cnc(Sc2nnc(SCC3CC3)s2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.59
MAPK9 P45984 9/20 0.59
MAPK10 P53779 2/20 0.59
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TLR9 Q9NR96 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HTT P42858 3/20 0.45
S1PR4 O95977 2/20 0.45
S1PR1 P21453 2/20 0.45
MAPK1 P28482 2/20 0.45
AGTR1 P30556 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ATG4B Q9Y4P1 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.37

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
SCHEMBL11430427 0.84 MAPK8 (0.79) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8037040 0.82 MAPK8 (0.67) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8050694 0.80 MAPK8 (0.61) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8042714 0.79 MAPK8 (0.60) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8043771 0.78 MAPK8 (0.62) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8048648 0.77 MAPK8 (0.69) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL6746930 0.74 MAPK8 (0.69) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8044196 0.74 MAPK8 (1.00) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8187646 0.74 MAPK8 (0.57) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8051317 0.74 MAPK8 (0.64) MAPK8MAPK9MAPK10ALDH1A1MAPT

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-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed