SCHEMBL8489481

SCHEMBL8489481

CS(=O)(=O)N(Cc1ccccc1)C1C(CCCO)NCCN(CC(=O)O)CCN(CC(=O)O)CCN1CC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
RORC P51449 2/20 0.31
SLC6A2 P23975 3/20 0.31
CYP2D6 P10635 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
AGTR2 P50052 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
SCHEMBL8489922 0.83 SIGMAR1 (0.33) SIGMAR1
SCHEMBL8488562 0.82 ALDH1A1 (0.35) ALDH1A1SIGMAR1LMNA
SCHEMBL8488750 0.82
SCHEMBL8491774 0.70
SCHEMBL8489492 0.69 MAPK1 (0.40) MAPK1POLBMEN1ALDH1A1KMT2A
SCHEMBL8489489 0.63 CRY1 (0.60) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12680198 0.60 ALDH1A1 (0.71) POLBMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3113817 0.60 ALDH1A1 (0.46) MAPK1POLBMEN1ALDH1A1KMT2A
SCHEMBL8484814 0.60 CRY1 (0.49) POLBMEN1ALDH1A1KMT2ARORC
SCHEMBL13185789 0.59 SIGMAR1 (0.72) MAPK1MEN1ALDH1A1KMT2ASIGMAR1

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