SCHEMBL8043300

SCHEMBL8043300

Cc1cccc(C(F)(F)F)c1.O=[N+]([O-])c1cnc(Sc2nnc(S)s2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.47
MAPK9 P45984 8/20 0.47
MAPK10 P53779 1/20 0.47
ATG4B Q9Y4P1 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
AGTR1 P30556 2/20 0.39
TLR9 Q9NR96 2/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT3 P40763 1/20 0.36
CXCR5 P32302 1/20 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
SCHEMBL8043296 0.77 ATG4B (0.50) MAPK8MAPK9MAPK10ATG4BNPC1
Ethyl Chloride SCHEMBL8050699 0.75 MAPK8 (0.61) MAPK8MAPK9MAPK10ATG4BNPC1
Hydroquinone SCHEMBL8042120 0.75 MAPK8 (0.59) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8047179 0.74 ALDH1A1 (0.42) RAB9AMAPTALDH1A1MAPK1HTT
SCHEMBL8046264 0.72 MAPK8 (0.64) MAPK8MAPK9MAPK10ATG4BNPC1
Acetic Acid Phenyl Ester SCHEMBL8037992 0.72 MAPK8 (0.49) MAPK8MAPK9MAPK10NPC1RAB9A
Ethyl Acetate SCHEMBL8033586 0.71 MAPK8 (0.54) MAPK8MAPK9MAPK10ATG4BNPC1
SCHEMBL11430427 0.71 MAPK8 (0.79) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL6746930 0.71 MAPK8 (0.69) MAPK8MAPK9MAPK10NPC1RAB9A
SCHEMBL8044444 0.71 ALDH1A1 (0.44) MAPK8MAPK9MAPK10ATG4BNPC1

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-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed