SCHEMBL8044357

SCHEMBL8044357

O=C(O)c1ccsc1-n1nnnc1Sc1ncc([N+](=O)[O-])s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.41
MAPK9 P45984 6/20 0.41
MAPK10 P53779 2/20 0.41
MAPT P10636 5/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
TLR9 Q9NR96 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 3/20 0.40
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
AGTR1 P30556 2/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL8044330 0.85 MAPK8 (0.43) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8044070 0.84 MAPT (0.36) MAPTALDH1A1HTTTLR9MAPK1
SCHEMBL8050058 0.83 KMT2A (0.36) MAPTALDH1A1HTTTLR9MAPK1
SCHEMBL8032469 0.81 RECQL (0.57) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8042800 0.80 MAPT (0.36) MAPTALDH1A1HTTMAPK1MEN1
SCHEMBL8045476 0.80 KMT2A (0.40) MAPK10MAPTALDH1A1RAB9AHTT
SCHEMBL8050484 0.79 MAPK8 (0.45) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8046704 0.79 ALDH1A1 (0.60) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8043586 0.78 NPC1 (0.46) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8045215 0.78 PDK1 (0.47) MAPTALDH1A1RAB9AHTTNPSR1

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed