SCHEMBL8048217

SCHEMBL8048217

Brc1ccc(-n2nnnc2Sc2nccs2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.35
HSD17B10 Q99714 3/20 0.34
TP53 P04637 2/20 0.34
JAK2 O60674 1/20 0.34
TLR9 Q9NR96 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDK1 Q15118 1/20 0.33
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.30
HPGD P15428 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
SCHEMBL8034063 0.85 ALDH1A1 (0.36) FBP1HSD17B10TP53JAK2TLR9
SCHEMBL8043807 0.80 HSD17B10 (0.36) FBP1HSD17B10TP53JAK2TLR9
SCHEMBL8042606 0.80 ALDH1A1 (0.37) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8032781 0.79 TP53 (0.46) FBP1HSD17B10TP53JAK2TLR9
SCHEMBL8050406 0.79 ALDH1A1 (0.33) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8043087 0.79 ALDH1A1 (0.36) HSD17B10TP53ALDH1A1KMT2ALMNA
SCHEMBL8045604 0.78 ALDH1A1 (0.34) HSD17B10TP53ALDH1A1KMT2ALMNA
SCHEMBL8045872 0.76 FBP1 (0.40) FBP1HSD17B10TP53JAK2TLR9
SCHEMBL8045496 0.76 ALDH1A1 (0.33) FBP1HSD17B10TP53JAK2TLR9
SCHEMBL8032540 0.76 ALDH1A1 (0.53) HSD17B10TP53ALDH1A1KMT2ALMNA

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