SCHEMBL6802271

SCHEMBL6802271

O=C(O)c1ccc(CSc2ccccn2)o1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
TSHR P16473 1/20 0.54
APEX1 P27695 1/20 0.54
PKM P14618 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
HDAC1 Q13547 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11400226 0.79 ALDH1A1 (0.67) POLBPKMALDH1A1MAPTNPC1
SCHEMBL315313 0.78 POLB (1.00) POLBTSHRAPEX1ALDH1A1MAPT
SCHEMBL14350433 0.76 ALDH1A1 (0.46) POLBTSHRAPEX1PKMALDH1A1
SCHEMBL20202250 0.74 POLB (0.76) POLBTSHRAPEX1PKMALDH1A1
SCHEMBL400161 0.72 POLB (0.70) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL11887838 0.72 POLB (0.68) POLBTSHRAPEX1ALDH1A1MAPT
Piperazine SCHEMBL11396939 0.71 ALDH1A1 (0.58) POLBPKMALDH1A1MAPTNPC1
SCHEMBL19717836 0.71 POLB (0.68) POLBTSHRAPEX1PKMALDH1A1
Bromide SCHEMBL27289520 0.71 POLB (0.68) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL16520814 0.71 POLB (0.67) POLBTSHRAPEX1PKMALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed