SCHEMBL4786924

SCHEMBL4786924

CC(C)c1nnc(Sc2ncc([N+](=O)[O-])s2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 0.64
MAPK9 P45984 9/20 0.64
MAPK10 P53779 2/20 0.64
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
TLR9 Q9NR96 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
AGTR1 P30556 2/20 0.49
S1PR4 O95977 2/20 0.49
S1PR1 P21453 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
HSP90AA1 P07900 1/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL11430427 0.85 MAPK8 (0.79) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL6746930 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8048648 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8044196 0.78 MAPK8 (1.00) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8046186 0.78 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8033463 0.78 MAPK8 (0.64) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8037040 0.78 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL7819059 0.76 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL7808986 0.76 MAPK8 (0.61) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL12413867 0.75 ALDH1A1 (0.53) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed