SCHEMBL8714759

SCHEMBL8714759

O=[N+]([O-])c1cnc(Sc2nc(Cc3ccccc3)c[nH]2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
MAPT P10636 5/20 0.44
NPC1 O15118 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR1 P21453 2/20 0.44
MAPK1 P28482 2/20 0.44
TLR9 Q9NR96 2/20 0.44
HSP90AA1 P07900 1/20 0.44
AGTR1 P30556 1/20 0.44
MAPK8 P45983 7/20 0.42
MAPK9 P45984 7/20 0.42
MAPK10 P53779 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ATG4B Q9Y4P1 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDK2 P24941 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
SCHEMBL8032483 0.74 MAPK8 (0.57) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL8042924 0.71 MAPT (0.52) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL8044325 0.70 GUSB (0.47) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL8043303 0.70 MAPK8 (0.46) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL8050359 0.69 NPC1 (0.55) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL8033216 0.69 MAPK8 (0.56) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL5801624 0.69 POLB (0.46) RAB9AHTTALDH1A1TDP1MEN1
SCHEMBL8044319 0.68 MAPT (0.45) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL8042773 0.68 MAPK8 (0.61) RAB9AMAPTNPC1NPSR1HTT
SCHEMBL8050233 0.67 MEN1 (0.61) RAB9AMAPTNPC1NPSR1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed