SCHEMBL10430010

SCHEMBL10430010

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GALR3 O60755 1/20 0.32
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL10429892 0.88 MAPT (0.34) MAPTALDH1A1PDE3BPDE3AKCNH2
SCHEMBL10430190 0.84 PDE3B (0.33) MAPTPDE3BPDE3AKCNH2POLB
SCHEMBL7273730 0.80 MAPT (0.42) MAPTALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL7269190 0.77 MAPT (0.46) MAPTALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL10430009 0.77 CTPS1 (0.34) MAPTALDH1A1PDE3BPDE3AKCNH2
SCHEMBL7292146 0.73 MAPT (0.47) MAPTALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL7274069 0.73 MAPT (0.49) MAPTALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL10429894 0.73 MAPT (0.44) MAPTALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL10429893 0.73 MAPT (0.44) MAPTALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL9729178 0.70 MAPT (0.46) MAPTALDH1A1PDE3BPDE3ASMN1; SMN2

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