SCHEMBL8041881

SCHEMBL8041881

O=C(O)c1cnc(Sc2nnnn2-c2cccnc2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
POLB P06746 6/20 0.45
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.43
HSD11B1 P28845 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8044465 0.90 ALDH1A1 (0.51) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8045818 0.83 HPGD (0.51) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8042658 0.82 KMT2A (0.42) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8045990 0.81 ALDH1A1 (0.42) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8042692 0.81 POLB (0.46) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8044703 0.81 MAPT (0.44) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8046515 0.80 POLB (0.45) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8046081 0.80 ALDH1A1 (0.46) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8047631 0.79 MAPT (0.41) HSD17B10POLBALDH1A1KMT2AMEN1
SCHEMBL8033822 0.79 KDM4E (0.54) HSD17B10POLBALDH1A1KMT2AMEN1

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed