SCHEMBL8032483

SCHEMBL8032483

O=[N+]([O-])c1cnc(Sc2nnc(Cc3ccccc3)s2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.57
MAPK9 P45984 8/20 0.57
MAPK10 P53779 1/20 0.57
MAPT P10636 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
S1PR4 O95977 2/20 0.47
S1PR1 P21453 2/20 0.47
MAPK1 P28482 2/20 0.47
TLR9 Q9NR96 2/20 0.47
HSP90AA1 P07900 1/20 0.47
AGTR1 P30556 1/20 0.47
ATG4B Q9Y4P1 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CDK2 P24941 1/20 0.42
GSK3A P49840 1/20 0.42

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
SCHEMBL8033216 0.89 MAPK8 (0.56) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8042773 0.81 MAPK8 (0.61) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8051317 0.81 MAPK8 (0.64) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8046186 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8050472 0.80 MAPK8 (0.60) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL11430427 0.80 MAPK8 (0.79) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8033991 0.79 MAPK8 (0.61) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL7819059 0.79 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8034366 0.78 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL8044004 0.78 MAPK8 (0.57) MAPK8MAPK9MAPK10MAPTNPC1

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed