SCHEMBL8042859

SCHEMBL8042859

Cn1ccnc1Sc1ncc([N+](=O)[O-])s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.57
MAPK9 P45984 7/20 0.57
MAPK10 P53779 2/20 0.57
ALDH1A1 P00352 6/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TLR9 Q9NR96 3/20 0.52
MAPT P10636 3/20 0.52
AGTR1 P30556 2/20 0.52
S1PR4 O95977 2/20 0.52
S1PR1 P21453 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HSP90AA1 P07900 1/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.44

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
SCHEMBL7823341 0.80 TDP1 (0.56) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8042204 0.77 NPC1 (0.47) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8051212 0.77 NPC1 (0.61) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8042307 0.77 MAPK8 (0.52) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8050233 0.75 MEN1 (0.61) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL31090321 0.75 NPC1 (0.65) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL8034182 0.74 NPC1 (0.55) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL11523235 0.73 MAPT (0.60) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL6856927 0.72 MAPK8 (0.54) MAPK8MAPK9MAPK10ALDH1A1NPC1
SCHEMBL6746930 0.72 MAPK8 (0.69) 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 3 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