SCHEMBL8044228

SCHEMBL8044228

CN(C)c1ccc(-n2nnnc2Sc2nc(CC(=O)O)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 9/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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 0.87 POLB (0.54) MAPTTP53MAPK1HSD17B10TSHR
SCHEMBL8034317 0.86 HPGD (0.51) TP53MAPK1HSD17B10TSHRNPSR1
SCHEMBL8041793 0.86 POLB (0.43) MAPTGAATP53MAPK1HSD17B10
SCHEMBL8051265 0.85 TP53 (0.41) MAPTGAATP53MAPK1HSD17B10
SCHEMBL8047518 0.85 SMN1; SMN2 (0.53) MAPTGAAMAPK1HSD17B10TSHR
SCHEMBL8050034 0.82 PTGS2 (0.43) TP53MAPK1HSD17B10TSHRNPSR1
SCHEMBL8042498 0.82 GAA (0.47) MAPTGAATP53MAPK1HSD17B10
SCHEMBL8042535 0.80 PTGS2 (0.44) MAPTGAATP53MAPK1HSD17B10
SCHEMBL8042328 0.79 HSD17B10 (0.48) MAPTGAATP53MAPK1HSD17B10
SCHEMBL8048414 0.78 LMNA (0.36) MAPTGAATP53MAPK1HSD17B10

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