SCHEMBL8042773

SCHEMBL8042773

O=[N+]([O-])c1cnc(Sc2nnc(-c3ccccc3)s2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.61
MAPK9 P45984 8/20 0.61
MAPK10 P53779 1/20 0.61
MAPT P10636 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 2/20 0.50
S1PR4 O95977 1/20 0.50
HSP90AA1 P07900 1/20 0.50
S1PR1 P21453 1/20 0.50
MAPK1 P28482 1/20 0.50
AGTR1 P30556 1/20 0.50
TLR9 Q9NR96 1/20 0.50
HDAC6 Q9UBN7 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATG4B Q9Y4P1 3/20 0.41
THRB P10828 1/20 0.40

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 0.83 MAPK8 (0.79) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8032483 0.81 MAPK8 (0.57) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8046537 0.81 MAPK8 (0.57) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8033216 0.80 MAPK8 (0.56) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8047682 0.79 MAPK8 (0.63) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8042507 0.78 MAPK9 (0.56) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8048648 0.76 MAPK8 (0.69) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL6746930 0.76 MAPK8 (0.69) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8044196 0.76 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8050254 0.76 HDAC6 (0.45) NPC1RAB9AHTTALDH1A1S1PR1

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