SCHEMBL10475489

SCHEMBL10475489

CC1CC(=O)NN=C1c1ccc(NCCCNC(N)=S)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.74
GALR3 O60755 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
THRB P10828 1/20 0.58
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
PDE3B Q13370 11/20 0.54
PDE3A Q14432 11/20 0.54
SLFN12 Q8IYM2 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
PRSS1 P07477 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10474001 0.95 GALR3 (0.76) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7273931 0.87 GALR3 (0.79) MAPTGALR3SMN1; SMN2THRBALDH1A1
Iodide SCHEMBL10474006 0.86 MAPT (0.71) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7273469 0.85 MAPT (0.70) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7267555 0.85 GALR3 (0.81) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL16157214 0.85 MAPT (1.00) MAPTGALR3SMN1; SMN2THRBALDH1A1
Iodide SCHEMBL10475201 0.84 GALR3 (0.71) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL10475491 0.84 MAPT (0.73) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL7266906 0.84 GALR3 (0.79) MAPTGALR3SMN1; SMN2THRBALDH1A1
SCHEMBL16156961 0.82 MAPT (0.79) MAPTGALR3SMN1; SMN2THRBALDH1A1

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-4968683-A INOTROPIC, CARDIOTONIC HEUMANN PHARMA GMBH & CO. (DE) 1990-11-06 US disclosed