SCHEMBL8045231

SCHEMBL8045231

O=[N+]([O-])c1cnc(Sc2nnnn2C2CCCCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.45
MAPK9 P45984 6/20 0.45
MAPK10 P53779 2/20 0.45
ALDH1A1 P00352 8/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TLR9 Q9NR96 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
S1PR4 O95977 2/20 0.42
MAPT P10636 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
AGTR1 P30556 2/20 0.42
HSP90AA1 P07900 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL8050246 0.80 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL7809014 0.79 MAPK8 (0.44) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8043960 0.78 L3MBTL1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1HTT
SCHEMBL8044116 0.77 MEN1 (0.43) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL8042307 0.77 MAPK8 (0.52) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8042806 0.74 MAPK8 (0.52) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8033453 0.74 NPC1 (0.58) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8042694 0.74 MAPK8 (0.49) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8033846 0.74 PDK1 (0.52) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL8051897 0.72 RAB9A (0.41) MAPK8MAPK9MAPK10ALDH1A1NPC1

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 5 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 claimed
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