SCHEMBL8043071

SCHEMBL8043071

Cc1csc(Sc2nnnn2-c2nccs2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.35
HSD17B10 Q99714 3/20 0.35
JAK2 O60674 1/20 0.35
TLR9 Q9NR96 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 6/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
SPHK2 Q9NRA0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8045872 0.83 FBP1 (0.40) TP53HSD17B10JAK2TLR9SMN1; SMN2
SCHEMBL8043970 0.79 KMT2A (0.43) TP53HSD17B10SMN1; SMN2RAB9AALDH1A1
SCHEMBL8048242 0.77 HSD17B10 (0.37) TP53HSD17B10SMN1; SMN2RAB9AALDH1A1
SCHEMBL8044748 0.77 TP53 (0.42) TP53HSD17B10JAK2TLR9SMN1; SMN2
SCHEMBL8045937 0.77 TP53 (0.38) TP53HSD17B10JAK2TLR9SMN1; SMN2
SCHEMBL8044672 0.77 TP53 (0.32) TP53HSD17B10JAK2TLR9SMN1; SMN2
SCHEMBL8043601 0.76 ALDH1A1 (0.37) TP53HSD17B10JAK2TLR9SMN1; SMN2
SCHEMBL8043945 0.76 ALDH1A1 (0.57) TP53HSD17B10SMN1; SMN2ALDH1A1LMNA
SCHEMBL8044132 0.75 TP53 (0.37) TP53HSD17B10JAK2TLR9SMN1; SMN2
SCHEMBL8050031 0.75 ALDH1A1 (0.31) TP53HSD17B10SMN1; SMN2ALDH1A1LMNA

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