SCHEMBL8710703

SCHEMBL8710703

CC(C)c1c(C(F)(F)F)ccc2[nH]c(Sc3ncc([N+](=O)[O-])s3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TLR9 Q9NR96 3/20 0.39
S1PR4 O95977 2/20 0.39
ALDH1A1 P00352 2/20 0.39
S1PR1 P21453 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
AGTR1 P30556 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK8 P45983 8/20 0.38
MAPK9 P45984 8/20 0.38
MAPK10 P53779 2/20 0.37
TDP1 Q9NUW8 2/20 0.33
STAT3 P40763 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8713547 0.85 NPC1 (0.41) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8050789 0.73 CBFB (0.40) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8051875 0.73 MAPK8 (0.39) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8044151 0.71 ALDH1A1 (0.44) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8042924 0.70 MAPT (0.52) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8712843 0.69 MAPK8 (0.42) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8044153 0.69 MAPT (0.51) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8042820 0.69 MAPK8 (0.48) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8711276 0.69 RAB9A (0.38) NPC1RAB9AMAPTNPSR1TLR9
SCHEMBL8044319 0.68 MAPT (0.45) NPC1RAB9AMAPTNPSR1TLR9

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