SCHEMBL8037022

SCHEMBL8037022

FC(F)(F)c1cc(-c2csc(Sc3nnnn3CCc3ccccc3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EIF4E P06730 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DCUN1D1 Q96GG9 6/20 0.35
UBE2M P61081 5/20 0.35
LTA4H P09960 1/20 0.34
PAX8 Q06710 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8045085 0.90 POLB (0.43) HTTLMNAPOLBMAPTNPSR1
SCHEMBL8043865 0.86 RAB9A (0.42) HTTLMNAMAPTNPSR1DCUN1D1
SCHEMBL8044430 0.85 CTSS (0.34) HTTLMNAPOLBMAPTDCUN1D1
SCHEMBL8043192 0.83 ALDH1A1 (0.35) HTTLMNAPOLBMAPTDCUN1D1
SCHEMBL8045490 0.83 EIF4E (0.36) HTTPOLBMAPTNPSR1EIF4E
SCHEMBL8032734 0.82 ALDH1A1 (0.37) HTTPOLBMAPTNPSR1EIF4E
SCHEMBL8042146 0.82 KDM4E (0.42) HTTLMNAMAPTNPSR1SLC6A2
SCHEMBL8048771 0.81 MAPT (0.37) LMNAMAPTEIF4EALDH1A1KDM4E
SCHEMBL8043200 0.81 ALDH1A1 (0.43) HTTLMNAPOLBMAPTNPSR1
SCHEMBL8047810 0.80 CYP2C9 (0.37) HTTLMNAMAPTNPSR1DCUN1D1

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