SCHEMBL8043929

SCHEMBL8043929

O=[N+]([O-])c1ccc(-n2nnnc2Sc2ncc([N+](=O)[O-])s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.47
MAPK9 P45984 9/20 0.47
MAPK10 P53779 2/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTT P42858 4/20 0.46
TLR9 Q9NR96 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
S1PR4 O95977 2/20 0.46
S1PR1 P21453 2/20 0.46
MAPK1 P28482 2/20 0.46
AGTR1 P30556 2/20 0.46
HSP90AA1 P07900 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL8050613 0.90 MAPT (0.46) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8050814 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8046591 0.90 ALDH1A1 (0.39) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8051983 0.87 MAPT (0.39) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8044381 0.86 ALDH1A1 (0.36) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8043586 0.85 NPC1 (0.46) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8042606 0.84 ALDH1A1 (0.37) MAPTALDH1A1NPC1RAB9AHTT
SCHEMBL8046704 0.83 ALDH1A1 (0.60) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8032341 0.82 NPC1 (0.46) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL8044886 0.81 MAPK8 (0.51) MAPK8MAPK9MAPK10MAPTALDH1A1

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