SCHEMBL10429893

SCHEMBL10429893

CC1SC(=O)NN=C1c1ccc(NCCCNC(=N)NCCCc2c[nH]cn2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
GALR3 O60755 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRSS1 P07477 4/20 0.35
PDE3B Q13370 7/20 0.35
PDE3A Q14432 7/20 0.35
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
SLFN12 Q8IYM2 1/20 0.33
MAPK1 P28482 1/20 0.33
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
DHFR P00374 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
SCHEMBL10429894 0.97 MAPT (0.44) MAPTGALR3SMN1; SMN2PRSS1PDE3B
SCHEMBL7275977 0.85 MAPT (0.62) MAPTGALR3SMN1; SMN2PRSS1PDE3B
SCHEMBL7267466 0.84 MAPT (0.62) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7266722 0.83 MAPT (0.51) MAPTGALR3SMN1; SMN2PRSS1PDE3B
SCHEMBL10429892 0.82 MAPT (0.34) MAPTGALR3SMN1; SMN2PDE3BPDE3A
Iodide SCHEMBL9729749 0.81 MAPT (0.51) MAPTGALR3SMN1; SMN2PRSS1PDE3B
SCHEMBL7273816 0.79 GALR3 (0.69) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL9729253 0.78 MAPT (0.54) MAPTGALR3SMN1; SMN2PDE3BPDE3A
Iodide SCHEMBL9729167 0.76 MAPT (0.53) MAPTGALR3SMN1; SMN2PRSS1PDE3B
SCHEMBL7294730 0.75 MAPT (0.58) MAPTGALR3SMN1; SMN2PRSS1PDE3B

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
EP-0399196-A1 Diazine derivatives, process for their preparation, and medicaments containing these compounds HEUMANN PHARMA GMBH & CO (DE) 1990-11-28 EP disclosed