SCHEMBL8045872

SCHEMBL8045872

c1csc(Sc2nnnn2-c2nccs2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.40
PDK1 Q15118 1/20 0.40
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
JAK2 O60674 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 1/20 0.32
FDPS P14324 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8043071 0.83 TP53 (0.35) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8044132 0.82 TP53 (0.37) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8044672 0.81 TP53 (0.32) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8032540 0.81 ALDH1A1 (0.53) HSD17B10TP53ALDH1A1LMNAHTT
SCHEMBL8043807 0.80 HSD17B10 (0.36) FBP1PDK1HSD17B10TP53JAK2
SCHEMBL8032781 0.79 TP53 (0.46) FBP1PDK1HSD17B10TP53JAK2
SCHEMBL8047144 0.79 HSD17B10 (0.40) FBP1PDK1HSD17B10TP53JAK2
SCHEMBL8046224 0.78 RXRA (0.35) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8043970 0.78 KMT2A (0.43) HSD17B10TP53ALDH1A1LMNAHTT
SCHEMBL8046744 0.78 ALDH1A1 (0.48) FBP1PDK1HSD17B10ALDH1A1LMNA

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