SCHEMBL8032504

SCHEMBL8032504

CCOC(=O)CCc1nnc(Sc2ncc([N+](=O)[O-])s2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.54
MAPK9 P45984 8/20 0.54
MAPK10 P53779 1/20 0.51
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TLR9 Q9NR96 3/20 0.41
AGTR1 P30556 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 7/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
S1PR4 O95977 2/20 0.40
ALDH1A1 P00352 2/20 0.40
S1PR1 P21453 2/20 0.40
HTT P42858 2/20 0.40
HSP90AA1 P07900 1/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
ATG4B Q9Y4P1 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
SCHEMBL8033917 0.89 MAPK8 (0.56) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8044004 0.84 MAPK8 (0.57) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL7819059 0.83 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8033585 0.83 MAPK8 (0.56) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8032889 0.82 ALDH1A1 (0.37) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8044706 0.82 MAPK8 (0.63) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8044854 0.81 RXRA (0.39) MAPTALDH1A1HPGDTDP1
SCHEMBL8033991 0.81 MAPK8 (0.61) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8046186 0.80 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8051075 0.80 ALDH1A1 (0.35) NPC1TLR9MAPTMAPK1NPSR1

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