SCHEMBL8042820

SCHEMBL8042820

COc1ccc2[nH]c(Sc3ncc([N+](=O)[O-])s3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.48
MAPK9 P45984 6/20 0.48
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
HSP90AA1 P07900 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
AGTR1 P30556 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 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
SCHEMBL8042824 0.92 CYP2D6 (0.51) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8044151 0.86 ALDH1A1 (0.44) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8042709 0.81 NPSR1 (0.42) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8042924 0.81 MAPT (0.52) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8044153 0.79 MAPT (0.51) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8042712 0.74 HTT (0.42) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8044325 0.71 GUSB (0.47) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8044319 0.71 MAPT (0.45) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8713547 0.71 NPC1 (0.41) MAPK8MAPK9MAPTHTTALDH1A1
SCHEMBL8186355 0.69 MAPK8 (0.56) MAPK8MAPK9MAPTHTTALDH1A1

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