SCHEMBL8484814

SCHEMBL8484814

CS(=O)(=O)N(Cc1ccccc1)CC(O)C[Gd]N1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 5/20 0.49
CRY2 Q49AN0 5/20 0.49
PER2 O15055 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
BACE1 P56817 3/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8488408 0.90 PER2 (0.51) CRY1CRY2PER2SMN1; SMN2BACE1
SCHEMBL8489489 0.86 CRY1 (0.60) CRY1CRY2PER2SMN1; SMN2ALDH1A1
SCHEMBL8486007 0.80 LMNA (0.44) CRY1CRY2PER2SMN1; SMN2ALDH1A1
SCHEMBL8486390 0.79 S1PR1 (0.36) CRY1CRY2PER2
SCHEMBL8489654 0.79 S1PR1 (0.36) CRY1CRY2PER2
SCHEMBL8488046 0.79 PER2 (0.42) CRY1CRY2PER2SMN1; SMN2LMNA
SCHEMBL8487228 0.74 CRY1 (0.53) CRY1CRY2PER2SMN1; SMN2ALDH1A1
SCHEMBL9004320 0.71 PER2 (0.46) CRY1CRY2PER2ALDH1A1POLB
SCHEMBL8488093 0.70 PER2 (0.33) CRY1CRY2PER2
SCHEMBL5557205 0.69 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1POLBBACE1GAA

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
US-5919431-A 1,4,7,10-tetraazacyclododecane derivatives, their use, pharmaceutical agents containing these compounds and process for their production SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed