SCHEMBL8034012

SCHEMBL8034012

Nc1nnc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.37
ALOX5 P09917 1/20 0.36
MPL P40238 3/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
PAX8 Q06710 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RORB Q92753 2/20 0.35
RORC P51449 1/20 0.35
FBP1 P09467 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPT P10636 1/20 0.34
EIF4E P06730 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
ADORA2A P29274 1/20 0.33

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
SCHEMBL8051771 0.86 ALOX5 (0.36) LTA4HALOX5MPLMYCWDR5
SCHEMBL8042665 0.85 MAPT (0.41) ALOX5MPLPKMMAPK1MAPT
SCHEMBL8043997 0.83 MAPT (0.35) LTA4HALOX5MYCWDR5MAPT
SCHEMBL8046557 0.82 CTSS (0.35) LTA4HALOX5MAPTEIF4EF2RL3
SCHEMBL8033655 0.82 EIF4E (0.34) LTA4HALOX5RORBRORCMAPT
SCHEMBL8044824 0.82 MAPT (0.34) ALOX5MAPTEIF4EF2RL3
SCHEMBL8052850 0.81 KMT2A (0.43) ALOX5EIF4EADORA2AADORA1
SCHEMBL8048125 0.80 CTSK (0.41) LTA4HALOX5MAPTEIF4EF2RL3
SCHEMBL8044775 0.80 EIF4E (0.33) LTA4HALOX5MAPTEIF4EF2RL3
SCHEMBL8046645 0.80 ALDH1A1 (0.39) ALOX5RORBRORCEIF4E

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