SCHEMBL8044347

SCHEMBL8044347

O=C(O)Cc1csc(Sc2nnnn2-c2cccc3ccccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ADRB2 P07550 1/20 0.48
HTT P42858 5/20 0.46
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL8048131 0.86 MAPK1 (0.43) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL8051833 0.85 POLB (0.54) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL8050047 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL8051292 0.80 CYP1A2 (0.38) ALDH1A1HSD17B10SMN1; SMN2MAPTMEN1
SCHEMBL8043452 0.79 ALDH1A1 (0.51) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL8042498 0.78 GAA (0.47) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL8032934 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDMEN1
SCHEMBL8034317 0.78 HPGD (0.51) ALDH1A1HSD17B10SMN1; SMN2HPGDMEN1
SCHEMBL8041793 0.78 POLB (0.43) ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD
SCHEMBL8042328 0.77 HSD17B10 (0.48) ALDH1A1HSD17B10SMN1; SMN2MAPTMEN1

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