SCHEMBL8930541

SCHEMBL8930541

CC(=O)N(c1ccc(NC(=O)CN)cc1)N1CCNCCNCC(C)(C)N(C)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 3/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
JAK2 O60674 1/20 0.31
PRKD3 O94806 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31
PDGFRB P09619 1/20 0.31

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
SCHEMBL8930519 0.84
SCHEMBL8719295 0.72 POLB (0.47) MAPTPOLBALDH1A1LMNAKDM4E
SCHEMBL8930521 0.70 GFER (0.36) MAPTCDK8ALDH1A1GFERCASP6
SCHEMBL8930545 0.66 ADRB1 (0.49) MAPTALDH1A1LMNAKDM4E
SCHEMBL8724174 0.66 POLB (0.42) MAPTSMN1; SMN2POLBALDH1A1LMNA
SCHEMBL5717885 0.66 SIGMAR1 (0.45) POLBALDH1A1
Hydrochloric Acid SCHEMBL5849112 0.65 SIGMAR1 (0.44) POLBALDH1A1
SCHEMBL7538929 0.64 AOC3 (0.37) ALDH1A1LMNAITGB3ITGA2B
SCHEMBL7536787 0.63 FFAR1 (0.41) CA1CA2LMNAITGB3ITGA2B
SCHEMBL7544912 0.63 CYP4A11 (0.38) CA2LMNA

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
WO-1997014443-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO INTERNATIONAL B.V. (NL) 1997-04-24 WO disclosed