SCHEMBL8186355

SCHEMBL8186355

COc1ccc(OC)c(-n2c(Sc3ncc([N+](=O)[O-])s3)n[nH]c2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.56
MAPK9 P45984 5/20 0.56
MAPK10 P53779 2/20 0.56
ALDH1A1 P00352 8/20 0.50
MAPT P10636 6/20 0.50
HTT P42858 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TLR9 Q9NR96 3/20 0.50
S1PR4 O95977 2/20 0.50
S1PR1 P21453 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 4/20 0.42
HSP90AA1 P07900 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
THRB P10828 2/20 0.42

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
SCHEMBL8176131 0.93 MAPK8 (0.56) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL31090340 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8186353 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8186280 0.86 MAPK8 (0.64) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8176058 0.86 MAPK8 (0.66) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL4789253 0.77 MAPK8 (0.67) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL31090321 0.76 NPC1 (0.65) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL8178294 0.76 MAPK8 (0.61) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL4789242 0.76 MAPK8 (0.68) MAPK8MAPK9MAPK10ALDH1A1MAPT
SCHEMBL31090329 0.75 MAPK8 (0.67) MAPK8MAPK9MAPK10ALDH1A1MAPT

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