SCHEMBL8046537

SCHEMBL8046537

O=[N+]([O-])c1cnc(Sc2nnc(-c3cccs3)s2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.57
MAPK9 P45984 8/20 0.57
MAPK10 P53779 1/20 0.57
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 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
HTT P42858 2/20 0.50
AGTR1 P30556 2/20 0.50
HSP90AA1 P07900 1/20 0.50
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL8042773 0.81 MAPK8 (0.61) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL11430427 0.80 MAPK8 (0.79) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8048142 0.78 KDM4E (0.45) RAB9ANPC1ALDH1A1MAPTHTT
SCHEMBL8050726 0.77 KDM4E (0.44) RAB9ANPC1ALDH1A1MAPTHTT
SCHEMBL8050072 0.76 NPC1 (0.57) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8050078 0.76 KDM4E (0.40) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL6746962 0.74 GRK6 (0.46) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8044209 0.74 TSHR (0.56) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL8048648 0.73 MAPK8 (0.69) MAPK8MAPK9MAPK10RAB9ANPC1
SCHEMBL8044196 0.73 MAPK8 (1.00) MAPK8MAPK9MAPK10RAB9ANPC1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed