SCHEMBL8044470

SCHEMBL8044470

O=C(O)CCc1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)s1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
APEX1 P27695 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP7 Q93009 1/20 0.31
POLB P06746 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
SCHEMBL8043964 0.89 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8047154 0.88 MAPT (0.36) MAPTALDH1A1SMN1; SMN2USP7POLB
SCHEMBL8046194 0.88 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8041916 0.87 MAPT (0.35) MAPTALDH1A1SMN1; SMN2
SCHEMBL8043579 0.86 MAPT (0.35) MAPTALDH1A1USP7POLB
SCHEMBL8043686 0.86 ALDH1A1 (0.37) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL8047155 0.85 MAPT (0.37) MAPTALDH1A1SMN1; SMN2USP7POLB
SCHEMBL8048431 0.84 RAB9A (0.41) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL8034362 0.83 F2 (0.39) MAPTALDH1A1USP7POLB
SCHEMBL8032914 0.82 MAPT (0.35) MAPTALDH1A1SMN1; SMN2POLB

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