SCHEMBL8043628

SCHEMBL8043628

O=C(O)CCc1nnc(Sc2nc3ccccc3s2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.59
MAPK1 P28482 4/20 0.59
HSD17B10 Q99714 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 3/20 0.59
ALDH1A1 P00352 3/20 0.59
TSHR P16473 3/20 0.59
ALOX15 P16050 2/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 3/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
MAPT P10636 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
ALOX5 P09917 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL8044486 0.87 SMN1; SMN2 (0.54) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8044052 0.84 MAPK1 (0.49) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8043621 0.84 GLA (0.51) HPGDMAPK1SMN1; SMN2POLBALDH1A1
SCHEMBL8050099 0.83 NFKB1 (0.44) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8033602 0.83 CYP1A2 (0.48) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8048253 0.82 ALDH1A1 (0.52) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8044035 0.81 HSD17B10 (0.51) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8051893 0.81 HDAC6 (0.39) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8042618 0.81 ALDH1A1 (0.50) HPGDMAPK1HSD17B10SMN1; SMN2POLB
SCHEMBL8043241 0.81 FBP1 (0.50) HPGDMAPK1HSD17B10SMN1; SMN2POLB

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