SCHEMBL8714065

SCHEMBL8714065

O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2Oc2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TLR9 Q9NR96 3/20 0.39
MAPK1 P28482 3/20 0.39
HTT P42858 3/20 0.39
AGTR1 P30556 2/20 0.39
S1PR4 O95977 2/20 0.39
MAPT P10636 2/20 0.39
S1PR1 P21453 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 2/20 0.36

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
SCHEMBL8034355 0.88 TSHR (0.48) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8044209 0.84 TSHR (0.56) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8050459 0.84 NPC1 (0.47) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL7850363 0.80 NPSR1 (0.49) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8043060 0.78 TSHR (0.46) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8050546 0.78 HSD17B10 (0.47) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8032497 0.78 TSHR (0.52) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8050072 0.77 NPC1 (0.57) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8044400 0.76 TSHR (0.46) TSHRALDH1A1NPSR1NPC1RAB9A
SCHEMBL8042746 0.76 TSHR (0.44) TSHRALDH1A1NPSR1NPC1RAB9A

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