SCHEMBL8723014

SCHEMBL8723014

CC(=O)N(c1ccc(N)cc1)N1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
RAD52 P43351 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GFER P55789 5/20 0.33
CASP6 P55212 1/20 0.33
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
DRD4 P21917 1/20 0.31
ALOX12 P18054 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ATM Q13315 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4581596 0.86 SLC6A9 (0.39) MAPTRAD52LMNAALDH1A1GFER
SCHEMBL8723002 0.85 SLC6A9 (0.38) MAPTRAD52LMNAALDH1A1GFER
SCHEMBL8722452 0.84 MAPT (0.37) MAPTRAD52LMNAALDH1A1GFER
SCHEMBL8722456 0.83 RAD52 (0.37) MAPTRAD52LMNAALDH1A1GFER
Hydrochloric Acid SCHEMBL8719317 0.82 RAD52 (0.36) MAPTRAD52LMNAALDH1A1GFER
SCHEMBL6320212 0.79 LMNA (0.44) MAPTRAD52LMNAALDH1A1GFER
SCHEMBL8723022 0.74 CASP6 (0.33) MAPTALDH1A1GFERCASP6KDM4E
SCHEMBL8930521 0.73 GFER (0.36) MAPTALDH1A1GFERCASP6TP53
Hydrochloric Acid SCHEMBL8722394 0.71 SLC6A9 (0.30)
SCHEMBL4581605 0.71 MAPT (0.42) MAPTLMNAALDH1A1POLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814849-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO International B.V. (NL) 1998-01-07 EP disclosed
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