SCHEMBL3633802

SCHEMBL3633802

O=S(=O)(c1ccc(Cl)nc1)N1CCSCC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
ALDH1A1 P00352 3/20 0.63
CYP2D6 P10635 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 3/20 0.50
PKM P14618 1/20 0.50
CHRM1 P11229 1/20 0.47
NAMPT P43490 1/20 0.46
CHRM5 P08912 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 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
SCHEMBL2977562 0.85 POLB (0.97) POLBALDH1A1CYP2D6L3MBTL1LMNA
SCHEMBL23089669 0.85 POLB (0.90) POLBALDH1A1CYP2D6L3MBTL1LMNA
SCHEMBL14134639 0.84 POLB (1.00) POLBALDH1A1CYP2D6L3MBTL1LMNA
SCHEMBL29279181 0.83 POLB (0.74) POLBALDH1A1CYP2D6L3MBTL1LMNA
SCHEMBL3203109 0.81 POLB (0.72) POLBALDH1A1CYP2D6L3MBTL1LMNA
SCHEMBL30693019 0.81 POLB (0.72) POLBALDH1A1CYP2D6LMNAGAA
SCHEMBL3149654 0.81 POLB (0.72) POLBALDH1A1CYP2D6LMNAGAA
SCHEMBL2980751 0.80 POLB (0.70) POLBALDH1A1CYP2D6L3MBTL1LMNA
SCHEMBL12751726 0.79 POLB (0.68) POLBALDH1A1CYP2D6L3MBTL1LMNA
SCHEMBL24058319 0.79 POLB (0.68) POLBALDH1A1CYP2D6LMNAPKM

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
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO disclosed