SCHEMBL8043303

SCHEMBL8043303

CCOC(=O)c1c[nH]c(Sc2ncc([N+](=O)[O-])s2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.46
MAPK9 P45984 7/20 0.46
MAPK10 P53779 1/20 0.43
RAB9A P51151 5/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 4/20 0.42
TLR9 Q9NR96 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
AGTR1 P30556 2/20 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
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL8042247 0.80 MAPK8 (0.45) MAPK8MAPK9MAPK10RAB9AMAPT
SCHEMBL13915784 0.76 GAA (0.54) RAB9AMAPTALDH1A1HTTGAA
SCHEMBL2657141 0.73 ALDH1A1 (0.46) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL8043240 0.73 NPC1 (0.50) MAPK8MAPK9MAPK10RAB9AMAPT
SCHEMBL8033917 0.72 MAPK8 (0.56) MAPK8MAPK9MAPK10RAB9AMAPT
SCHEMBL8033585 0.72 MAPK8 (0.56) MAPK8MAPK9MAPK10RAB9AMAPT
SCHEMBL1277628 0.71 CYP1A2 (0.49) RAB9AMAPTNPC1ALDH1A1MAPK1
SCHEMBL8032504 0.70 MAPK8 (0.54) MAPK8MAPK9MAPK10RAB9AMAPT
Ethyl Acetate SCHEMBL8033586 0.70 MAPK8 (0.54) MAPK8MAPK9MAPK10RAB9AMAPT
SCHEMBL8714759 0.70 RAB9A (0.44) MAPK8MAPK9MAPK10RAB9AMAPT

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