SCHEMBL8042522

SCHEMBL8042522

Cc1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)n1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
USP7 Q93009 1/20 0.31
TP53 P04637 1/20 0.31
GPR35 Q9HC97 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8034259 0.85 MAPT (0.35) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL8044639 0.81 HDAC6 (0.49) MAPTALDH1A1POLBKDM4ETSHR
SCHEMBL8051249 0.80 RAB9A (0.35) MAPTALDH1A1POLBKDM4EHPGD
SCHEMBL8044880 0.79 GCK (0.39) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL8043559 0.78 MAPT (0.34) MAPTALDH1A1POLBUSP7
SCHEMBL8043918 0.76 MAPT (0.45) MAPTALDH1A1POLBTSHRHPGD
SCHEMBL8033927 0.76 NPSR1 (0.40) MAPTALDH1A1POLBHPGDMEN1
SCHEMBL8033964 0.76 SMN1; SMN2 (0.39) MAPTALDH1A1POLBTP53SMN1; SMN2
SCHEMBL8043035 0.76 MAPT (0.33) MAPTALDH1A1POLBKDM4EUSP7
SCHEMBL8032850 0.75 MAPT (0.37) MAPTALDH1A1POLBUSP7TP53

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