SCHEMBL8043918

SCHEMBL8043918

Cc1nnc(Sc2nc(C(F)(F)F)c(C(=O)O)s2)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP7 Q93009 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 3/20 0.34
HSD11B1 P28845 3/20 0.34
GLA P06280 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 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
SCHEMBL8032850 0.84 MAPT (0.37) MAPTALDH1A1POLBUSP7TP53
SCHEMBL8043892 0.84 MAPT (0.38) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL8042100 0.83 MAPT (0.36) MAPTALDH1A1GAAUSP7TP53
SCHEMBL8042786 0.83 MAPT (0.37) MAPTALDH1A1POLBUSP7
SCHEMBL8047155 0.83 MAPT (0.37) MAPTALDH1A1L3MBTL1GAAPOLB
SCHEMBL8043579 0.81 MAPT (0.35) MAPTALDH1A1POLBUSP7
SCHEMBL8047154 0.81 MAPT (0.36) MAPTALDH1A1GAAPOLBKMT2A
SCHEMBL8046194 0.80 MAPT (0.34) MAPTALDH1A1USP7
SCHEMBL8041916 0.80 MAPT (0.35) MAPTALDH1A1HSD17B10TSHR
SCHEMBL8032914 0.80 MAPT (0.35) MAPTALDH1A1L3MBTL1GAAPOLB

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