SCHEMBL9660846

SCHEMBL9660846

CN(N)C(=S)n1nc(N2CCOCC2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
PIK3R1 P27986 2/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9258593 0.81 GAA (0.41) GAAMAPK1LMNAHTTALDH1A1
SCHEMBL7896518 0.78 POLB (0.42) GAAMAPK1LMNAHTTALDH1A1
SCHEMBL9869002 0.71 ALDH1A1 (0.37) GAAMAPK1LMNAHTTALDH1A1
SCHEMBL27309896 0.71 POLB (0.39) GAAMAPK1LMNAHTTALDH1A1
SCHEMBL15833455 0.67 MGLL (0.48) LMNAALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL9251387 0.67 GAA (0.37) GAAMAPK1LMNAHTTALDH1A1
SCHEMBL28674470 0.66 MAPK1 (0.58) MAPK1LMNAHTTALDH1A1SMN1; SMN2
SCHEMBL9175170 0.66 ALDH1A1 (0.38) GAAMAPK1LMNAHTTALDH1A1
SCHEMBL9171205 0.66 GAA (0.49) GAAMAPK1LMNAHTTALDH1A1
SCHEMBL9254724 0.65 PIK3CA (0.35) GAAMAPK1LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5135928-A Treating angina, gastrointesinal disorders; antiinflammatory agents; antiulcer, analgesics; sedatives EGIS GYOGYSZERGYAR (HU) 1992-08-04 US disclosed