SCHEMBL8051875

SCHEMBL8051875

O=[N+]([O-])c1cnc(Sc2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.39
MAPK9 P45984 6/20 0.39
MAPK10 P53779 2/20 0.39
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
S1PR4 O95977 2/20 0.38
ALDH1A1 P00352 2/20 0.38
S1PR1 P21453 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
TLR9 Q9NR96 2/20 0.38
HSP90AA1 P07900 1/20 0.38
AGTR1 P30556 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
RIPK1 Q13546 1/20 0.38
STAT3 P40763 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ATG4B Q9Y4P1 2/20 0.32

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
SCHEMBL8050789 0.88 CBFB (0.40) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8051880 0.84 MAPK8 (0.39) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8050792 0.76 MAPK8 (0.39) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8710703 0.73 NPC1 (0.39) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8045027 0.70 MAPK8 (0.51) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8042924 0.70 MAPT (0.52) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8044153 0.69 MAPT (0.51) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8044151 0.69 ALDH1A1 (0.44) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8044319 0.68 MAPT (0.45) MAPK8MAPK9MAPK10MAPTNPSR1
SCHEMBL8713547 0.67 NPC1 (0.41) MAPK8MAPK9MAPK10MAPTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed