SCHEMBL8032365

SCHEMBL8032365

CCCCn1nnc(Sc2ncc([N+](=O)[O-])s2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.49
MAPK9 P45984 8/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
TLR9 Q9NR96 3/20 0.47
KMT2A Q03164 3/20 0.47
AGTR1 P30556 2/20 0.47
MEN1 O00255 2/20 0.47
MAPK10 P53779 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSP90AA1 P07900 1/20 0.42
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
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
SCHEMBL8045984 0.93 MAPK8 (0.51) MAPK8MAPK9RAB9ANPC1TLR9
SCHEMBL8044450 0.88 MAPK8 (0.52) MAPK8MAPK9RAB9ANPC1TLR9
SCHEMBL8046721 0.82 MAPK8 (0.52) MAPK8MAPK9RAB9ANPC1TLR9
SCHEMBL8042797 0.81 MAPK8 (0.43) MAPK8MAPK9RAB9ANPC1TLR9
SCHEMBL8044469 0.81 MAPK8 (0.46) MAPK8MAPK9RAB9ANPC1TLR9
SCHEMBL8046313 0.80 ALDH1A1 (0.35) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8042079 0.79 MAPK8 (0.44) MAPK8MAPK9RAB9ANPC1TLR9
SCHEMBL8044527 0.78 RAB9A (0.35) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8044846 0.78 RAB9A (0.42) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL8044623 0.78 RAB9A (0.37) RAB9ANPC1KMT2AMEN1ALDH1A1

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