SCHEMBL8722938

SCHEMBL8722938

CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N(C(C)=O)N2CCN(CC(=O)OC)CCN(CC(=O)OC)CCN(CC(=O)OC)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MAPT P10636 2/20 0.39
CIT O14578 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8722985 0.84 S1PR1 (0.43) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL8719295 0.81 POLB (0.47) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL8722456 0.78 RAD52 (0.37) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL8722943 0.78 POLB (0.32) MAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL8719317 0.77 RAD52 (0.36) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL8724174 0.76 POLB (0.42) MAPTPOLBMEN1KMT2AALDH1A1
SCHEMBL3666626 0.69 KMT2A (0.62) AAK1MAPTCITMEN1KMT2A
Hydrochloric Acid SCHEMBL8615328 0.68 KMT2A (0.61) AAK1MAPTCITMEN1KMT2A
Hydrochloric Acid SCHEMBL8615333 0.68 KMT2A (0.61) AAK1MAPTCITMEN1KMT2A
SCHEMBL12260389 0.68 ALDH1A1 (0.60) MAPTPOLBL3MBTL1ALDH1A1LMNA

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