SCHEMBL4789762

SCHEMBL4789762

O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.58
MAPK9 P45984 3/20 0.58
MAPK10 P53779 2/20 0.58
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 3/20 0.52
MAPT P10636 3/20 0.52
S1PR4 O95977 2/20 0.52
S1PR1 P21453 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TLR9 Q9NR96 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4789253 0.87 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL31090340 0.84 MAPK8 (0.64) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL31090326 0.84 MAPK8 (0.59) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL4789242 0.82 MAPK8 (0.68) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8178294 0.82 MAPK8 (0.61) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL31090329 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8187444 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL31090332 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL31090339 0.79 NPC1 (0.67) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8186353 0.79 MAPK8 (0.64) 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
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