SCHEMBL8032798

SCHEMBL8032798

FC(F)(F)c1cc(-c2csc(Sc3nnnn3-c3ccc(Br)s3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALOX5 P09917 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
EIF4E P06730 1/20 0.30
AR P10275 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL8043331 0.88 MAPT (0.34) KDM4EALOX5HTTPAX8PIP4K2C
SCHEMBL8041970 0.84 EIF4E (0.40) HTTEIF4EMAPT
SCHEMBL8044497 0.84 HTT (0.33) KDM4EALOX5HTTPAX8PIP4K2C
SCHEMBL8043905 0.84 KDM4E (0.37) KDM4EALOX5HTTPAX8PIP4K2C
SCHEMBL8050384 0.83 HTT (0.38) KDM4EHTTMAPT
SCHEMBL8041803 0.82 MAPT (0.34) KDM4EHTTPAX8PIP4K2CMAPT
SCHEMBL8043200 0.81 ALDH1A1 (0.43) KDM4EHTTMAPT
SCHEMBL8046358 0.81 LMNA (0.39) KDM4EHTTARMAPT
SCHEMBL8033936 0.80 ALDH1A1 (0.42) KDM4EHTTPAX8PIP4K2CAR
SCHEMBL8046275 0.78 ALDH1A1 (0.42) KDM4EHTTPAX8PIP4K2CEIF4E

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