SCHEMBL10429892

SCHEMBL10429892

CC1SC(=O)NN=C1c1ccc(N2CCC(NC(=N)NCCCc3c[nH]cn3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
GALR3 O60755 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.33
PDE3B Q13370 8/20 0.33
PDE3A Q14432 8/20 0.33
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
SLFN12 Q8IYM2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
KCNH2 Q12809 1/20 0.32
THRB P10828 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
SCHEMBL7269190 0.89 MAPT (0.46) MAPTGALR3SMN1; SMN2POLBPDE3B
SCHEMBL10430010 0.88 MAPT (0.33) MAPTGALR3SMN1; SMN2POLBPDE3B
SCHEMBL10430009 0.83 CTPS1 (0.34) MAPTGALR3SMN1; SMN2POLBPDE3B
SCHEMBL10429893 0.82 MAPT (0.44) MAPTGALR3SMN1; SMN2POLBPDE3B
SCHEMBL10429894 0.82 MAPT (0.44) MAPTGALR3SMN1; SMN2POLBPDE3B
SCHEMBL7267790 0.79 MAPT (0.47) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7273730 0.78 MAPT (0.42) MAPTGALR3SMN1; SMN2POLBPDE3B
SCHEMBL10430190 0.77 PDE3B (0.33) MAPTPOLBPDE3BPDE3ATP53
SCHEMBL7292146 0.76 MAPT (0.47) MAPTGALR3SMN1; SMN2PDE3BPDE3A
SCHEMBL7274069 0.75 MAPT (0.49) MAPTGALR3SMN1; SMN2PDE3BPDE3A

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 claimed