SCHEMBL8041884

SCHEMBL8041884

CCCCc1nnc(Sc2ncc(S(C)(=O)=O)s2)s1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.36
MAPK9 P45984 4/20 0.36
LOXL2 Q9Y4K0 3/20 0.36
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.33
MAPK10 P53779 1/20 0.32
LOX P28300 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL8048119 0.93 MAPK8 (0.38) MAPK8MAPK9LOXL2ALDH1A1MAPK10
SCHEMBL8043817 0.88 MAPK8 (0.37) MAPK8MAPK9LOXL2ALDH1A1MAPK10
SCHEMBL8044752 0.87 MAPK8 (0.33) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8042354 0.84 MAPK8 (0.34) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8043608 0.84 APEX1 (0.33) MAPK8MAPK9ALDH1A1
SCHEMBL8043963 0.83 ATM (0.42) ALDH1A1NPC1RAB9A
SCHEMBL8044039 0.82 ALDH1A1 (0.37) MAPK8MAPK9LOXL2ALDH1A1TSHR
SCHEMBL8051075 0.81 ALDH1A1 (0.35) ALDH1A1NPC1
SCHEMBL8043583 0.81 AKT1 (0.33) MAPK8MAPK9LOXL2MAPK10LOX
SCHEMBL8043647 0.80 F2 (0.40) MAPK8MAPK9LOXL2ALDH1A1MAPK10

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