SCHEMBL8043455

SCHEMBL8043455

FC(F)(F)c1cc(-c2csc(Sc3nnc(Cc4ccccc4)s3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.42
ALDH1A1 P00352 2/20 0.39
EIF4E P06730 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA2A P29274 1/20 0.35
CXCR2 P25025 1/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ALOX5 P09917 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
C1S P09871 1/20 0.33
PIK3CG P48736 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL8033919 0.90 ATM (0.40) LTA4HALDH1A1EIF4EMEN1KMT2A
SCHEMBL8048154 0.85 ALDH1A1 (0.48) LTA4HALDH1A1MEN1KMT2AKDM4E
SCHEMBL8052850 0.84 KMT2A (0.43) ALDH1A1EIF4EMEN1KMT2AKDM4E
SCHEMBL8033655 0.83 EIF4E (0.34) LTA4HALDH1A1EIF4EMEN1KMT2A
SCHEMBL8046557 0.83 CTSS (0.35) LTA4HALDH1A1EIF4EMEN1KMT2A
SCHEMBL8033608 0.81 EIF4E (0.40) ALDH1A1EIF4EMEN1KMT2AKDM4E
SCHEMBL8044775 0.81 EIF4E (0.33) LTA4HALDH1A1EIF4EMEN1KMT2A
SCHEMBL8048125 0.81 CTSK (0.41) LTA4HALDH1A1EIF4EKMT2ARAB9A
SCHEMBL8048151 0.80 F2RL3 (0.37) LTA4HALDH1A1EIF4ERAB9AALOX5
SCHEMBL8050843 0.80 CTSS (0.38) LTA4HALDH1A1EIF4EALOX5

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