SCHEMBL8042786

SCHEMBL8042786

CC(C)c1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)s1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.32
USP7 Q93009 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8043918 0.83 MAPT (0.45) MAPTALDH1A1POLBUSP7
SCHEMBL8032850 0.81 MAPT (0.37) MAPTALDH1A1POLBUSP7SMN1; SMN2
SCHEMBL8043892 0.81 MAPT (0.38) MAPTALDH1A1POLBUSP7SMN1; SMN2
SCHEMBL8042100 0.80 MAPT (0.36) MAPTALDH1A1USP7SMN1; SMN2
SCHEMBL8047155 0.80 MAPT (0.37) MAPTALDH1A1POLBUSP7SMN1; SMN2
SCHEMBL8043579 0.78 MAPT (0.35) MAPTALDH1A1POLBUSP7
SCHEMBL8047154 0.78 MAPT (0.36) MAPTALDH1A1POLBUSP7SMN1; SMN2
SCHEMBL5520404 0.77 MAPT (0.39) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL8046194 0.77 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8032914 0.77 MAPT (0.35) MAPTALDH1A1POLBSMN1; SMN2

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