SCHEMBL7809014

SCHEMBL7809014

O=[N+]([O-])c1cnc(Sc2nnc(O)n2C2CCCCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.44
MAPK9 P45984 9/20 0.44
MAPK10 P53779 2/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
TLR9 Q9NR96 3/20 0.42
AGTR1 P30556 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATG4B Q9Y4P1 2/20 0.38
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8051897 0.80 RAB9A (0.41) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8045231 0.79 MAPK8 (0.45) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL7813813 0.75 MAPK8 (0.46) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8042816 0.73 MAPK8 (0.39) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL6751564 0.72 NPC1 (0.65) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8608442 0.70 NPC1 (0.44) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL10082849 0.70 MAPK8 (0.70) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL29404340 0.70 MAPK8 (0.70) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL7849556 0.70 MAPK8 (0.41) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8051212 0.69 NPC1 (0.61) MAPK8MAPK9MAPK10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007042-A4 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN INC (US) 2001-07-04 EP disclosed
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
EP-1007042-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION Sugen, Inc. (US) 2000-06-14 EP 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-1998056376-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-12-17 WO disclosed
US-5798374-A ADMINISTERING A 2-(5-NITROTHIAZOL-2-YL)MERCAPTO-1,2,4-TRIAZOLE DERIVATIVE TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS SUGEN INC. (US) 1998-08-25 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed