SCHEMBL8178294

SCHEMBL8178294

O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.61
MAPK9 P45984 7/20 0.61
MAPK10 P53779 2/20 0.61
MAPT P10636 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TLR9 Q9NR96 3/20 0.52
S1PR4 O95977 2/20 0.52
ALDH1A1 P00352 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
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AGTR1 P30556 2/20 0.39
HSP90AA1 P07900 1/20 0.39
SCN5A Q14524 1/20 0.36
MEN1 O00255 3/20 0.35

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
SCHEMBL31090340 0.87 MAPK8 (0.64) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8187444 0.86 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL4789242 0.84 MAPK8 (0.68) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL31090332 0.83 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL31090329 0.83 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL4789253 0.83 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL31090326 0.83 MAPK8 (0.59) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL4789762 0.82 MAPK8 (0.58) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8187604 0.81 MAPK8 (0.69) MAPK8MAPK9MAPK10MAPTNPC1
SCHEMBL8186353 0.81 MAPK8 (0.64) MAPK8MAPK9MAPK10MAPTNPC1

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 2 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-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO disclosed