SCHEMBL8187604

SCHEMBL8187604

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.69
MAPK9 P45984 8/20 0.69
MAPK10 P53779 2/20 0.69
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 4/20 0.55
TLR9 Q9NR96 3/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
S1PR4 O95977 2/20 0.55
S1PR1 P21453 2/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
AGTR1 P30556 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8187444 0.88 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8192428 0.87 MAPK8 (0.66) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL31090332 0.86 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL4789242 0.85 MAPK8 (0.68) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL31090329 0.84 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL4789253 0.84 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8176058 0.83 MAPK8 (0.66) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL29461370 0.82 MAPK8 (1.00) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8178174 0.82 MAPK8 (0.62) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8188466 0.82 MAPK8 (0.89) 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 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