SCHEMBL7526208

SCHEMBL7526208

C=CCNc1nc(S)nc(N(CC)CC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
HCRTR1 O43613 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHR1 P34998 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9333895 0.82 GAA (0.47) GAATSHRL3MBTL1CA1CA2
SCHEMBL11834474 0.79 GAA (0.46) GAAMAPK1TSHRALDH1A1MEN1
SCHEMBL7529140 0.79 GAA (0.46) GAAMAPK1TSHRL3MBTL1ALDH1A1
SCHEMBL10947982 0.76 ALDH1A1 (0.40) GAAMAPK1TSHRHCRTR1L3MBTL1
SCHEMBL2232248 0.73 TDP1 (0.46) TSHRCA1CA2CA9MEN1
SCHEMBL2262594 0.73 CRHR1 (0.43) GAAMAPK1TSHRHCRTR1L3MBTL1
SCHEMBL14236896 0.73 CRHR1 (0.43) GAAMAPK1TSHRHCRTR1L3MBTL1
SCHEMBL9333911 0.70 CYP1A2 (0.42) GAATSHRL3MBTL1CRHR1ALDH1A1
SCHEMBL3237315 0.69 GAA (0.53) GAAMAPK1TSHRALDH1A1MEN1
SCHEMBL762576 0.68 GAA (0.55) GAATSHRL3MBTL1CA1CA2

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-20020174491-A1 Process for stabilizing the whiteness of lignin-containing fibrous materials, stabilizer composition and fibrous materials stabilized with this DEGUSSA-AG (DE) 2002-11-28 US disclosed
EP-1241296-A2 Process for stabilizing brightness of lignin-containing fibrous material, a composition for stabilizing the brightness thereof and thus stabilized fibrous material Degussa AG (DE) 2002-09-18 EP disclosed