SCHEMBL8043807

SCHEMBL8043807

c1csc(-n2nnnc2Sc2nccs2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.36
TP53 P04637 2/20 0.36
JAK2 O60674 1/20 0.36
TLR9 Q9NR96 1/20 0.36
FBP1 P09467 3/20 0.36
PDK1 Q15118 1/20 0.36
ALDH1A1 P00352 8/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MITF O75030 1/20 0.33
PIP4K2C Q8TBX8 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8032540 0.82 ALDH1A1 (0.53) HSD17B10TP53ALDH1A1HTTLMNA
SCHEMBL8034063 0.80 ALDH1A1 (0.36) HSD17B10TP53JAK2TLR9FBP1
SCHEMBL8048217 0.80 FBP1 (0.35) HSD17B10TP53JAK2TLR9FBP1
SCHEMBL8045872 0.80 FBP1 (0.40) HSD17B10TP53JAK2TLR9FBP1
SCHEMBL8043208 0.79 HSD17B10 (0.36) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8043601 0.78 ALDH1A1 (0.37) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8033935 0.77 HSD17B10 (0.47) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8051539 0.77 L3MBTL1 (0.40) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL8047144 0.77 HSD17B10 (0.40) HSD17B10TP53JAK2TLR9FBP1
SCHEMBL8032781 0.77 TP53 (0.46) HSD17B10TP53JAK2TLR9FBP1

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