SCHEMBL10474289

SCHEMBL10474289

CSC(=N)NCCCN1CCN(c2ccc(C3=NNC(=O)CC3C)cc2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
THRB P10828 1/20 0.50
PDE3B Q13370 9/20 0.49
PDE3A Q14432 9/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
SLFN12 Q8IYM2 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HRH3 Q9Y5N1 2/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GPR119 Q8TDV5 2/20 0.40

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
SCHEMBL7267790 0.85 MAPT (0.47) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7267931 0.84 GALR3 (0.60) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL10475508 0.84 GALR3 (0.52) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7268162 0.83 GALR3 (0.59) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL10475228 0.83 GALR3 (0.58) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL10474006 0.81 MAPT (0.71) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL10475201 0.81 GALR3 (0.71) GALR3MAPTSMN1; SMN2THRBPDE3B
Iodide SCHEMBL10474019 0.81 GALR3 (0.54) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7267774 0.80 GALR3 (0.52) GALR3MAPTSMN1; SMN2THRBPDE3B
SCHEMBL7275323 0.80 GALR3 (0.52) GALR3MAPTSMN1; SMN2THRBPDE3B

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