SCHEMBL8042498

SCHEMBL8042498

O=C(O)Cc1csc(Sc2nnnn2-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
POLB P06746 2/20 0.45
TSHR P16473 5/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 4/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL8051833 0.90 POLB (0.54) POLBTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL8047518 0.89 SMN1; SMN2 (0.53) GAAPOLBTSHRMAPTSMN1; SMN2
SCHEMBL8041793 0.85 POLB (0.43) GAAPOLBTSHRMAPTSMN1; SMN2
SCHEMBL8034317 0.85 HPGD (0.51) POLBTSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL8044228 0.82 MAPT (0.41) GAAPOLBTSHRMAPTSMN1; SMN2
SCHEMBL8051265 0.82 TP53 (0.41) GAAPOLBTSHRMAPTSMN1; SMN2
SCHEMBL8050034 0.82 PTGS2 (0.43) POLBTSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL8033885 0.81 LIMK1 (0.45) POLBTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL8032815 0.81 SMN1; SMN2 (0.52) GAATSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL8042328 0.80 HSD17B10 (0.48) GAAPOLBTSHRMAPTSMN1; SMN2

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