SCHEMBL8044672

SCHEMBL8044672

Brc1nc(Sc2nnnn2-c2nccs2)sc1Br

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
JAK2 O60674 1/20 0.32
TLR9 Q9NR96 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8050031 0.85 ALDH1A1 (0.31) TP53HSD17B10ALDH1A1LMNAMAPT
SCHEMBL8045872 0.81 FBP1 (0.40) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8044908 0.78 TP53 (0.35) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8042997 0.78 ALDH1A1 (0.36) TP53HSD17B10ALDH1A1LMNAMAPT
SCHEMBL8046744 0.77 ALDH1A1 (0.48) HSD17B10ALDH1A1LMNAMAPTMAPK1
SCHEMBL8043071 0.77 TP53 (0.35) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8044132 0.76 TP53 (0.37) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8043940 0.75 ALDH1A1 (0.43) TP53HSD17B10JAK2TLR9ALDH1A1
SCHEMBL8052220 0.75 ALDH1A1 (0.54) TP53HSD17B10ALDH1A1LMNAMAPT
SCHEMBL8045604 0.74 ALDH1A1 (0.34) TP53HSD17B10ALDH1A1LMNAMAPT

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