SCHEMBL8042489

SCHEMBL8042489

Cc1cc(C)c(Nc2nnc(Sc3ncc([N+](=O)[O-])s3)s2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.63
MAPK9 P45984 8/20 0.63
MAPK10 P53779 1/20 0.54
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TLR9 Q9NR96 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AGTR1 P30556 2/20 0.45
MAPT P10636 5/20 0.42
HTT P42858 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
LMNA P02545 4/20 0.40
HPGD P15428 4/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8045212 0.88 MAPK8 (0.59) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8048245 0.86 MAPK8 (0.57) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8042388 0.84 MAPK8 (0.63) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8043723 0.81 MAPK8 (0.64) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8034060 0.79 MAPK8 (0.58) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8033261 0.78 MAPK8 (0.59) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8047682 0.78 MAPK8 (0.63) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL11430427 0.77 MAPK8 (0.79) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL6746930 0.76 MAPK8 (0.69) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8047540 0.76 MAPK8 (0.67) 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 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