SCHEMBL8043077

SCHEMBL8043077

COC(=O)c1cnc(Sc2ncc([N+](=O)[O-])s2)n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
TLR9 Q9NR96 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AGTR1 P30556 2/20 0.45
MAPK8 P45983 8/20 0.45
MAPK9 P45984 8/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK10 P53779 2/20 0.43
NPSR1 Q6W5P4 3/20 0.43
S1PR4 O95977 2/20 0.43
ALDH1A1 P00352 2/20 0.43
S1PR1 P21453 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
HSP90AA1 P07900 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL8043240 0.88 NPC1 (0.50) MAPTRAB9ANPC1TLR9MEN1
SCHEMBL8051212 0.73 NPC1 (0.61) MAPTRAB9ANPC1TLR9MEN1
SCHEMBL28881823 0.71 MAPT (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL8042859 0.71 MAPK8 (0.57) MAPTRAB9ANPC1TLR9MEN1
SCHEMBL31090321 0.71 NPC1 (0.65) MAPTRAB9ANPC1TLR9MEN1
SCHEMBL10716652 0.71 SMN1; SMN2 (0.63) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL7823341 0.70 TDP1 (0.56) MAPTRAB9ANPC1TLR9MEN1
SCHEMBL8042307 0.70 MAPK8 (0.52) MAPTRAB9ANPC1TLR9MEN1
SCHEMBL8034182 0.70 NPC1 (0.55) MAPTRAB9ANPC1TLR9MEN1
SCHEMBL18021952 0.70 SMN1; SMN2 (0.58) MAPTRAB9ANPC1MEN1KMT2A

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