SCHEMBL24673193

SCHEMBL24673193

CCN(CCN(CCNCP(=O)(O)O)CP(=O)(O)O)Cc1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.39
TSHR P16473 2/20 0.38
HTR1A P08908 1/20 0.35
CHEK1 O14757 1/20 0.34
PIM1 P11309 1/20 0.34
IDO1 P14902 1/20 0.34
LTK P29376 1/20 0.34
LIMK1 P53667 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL24673207 0.83 TSHR (0.41) APPTSHRHTR1A
SCHEMBL24673314 0.81 ACKR3 (0.41) APP
SCHEMBL2551646 0.79 GAA (0.42) TSHRHTR1AIDO1
SCHEMBL20175942 0.76 TSHR (0.59) TSHRHTR1A
SCHEMBL15849023 0.73 ANPEP (0.33)
SCHEMBL7172209 0.73 ANPEP (0.35)
SCHEMBL14524568 0.72 FDPS (0.37)
SCHEMBL13051280 0.72 TSHR (0.58) TSHRHTR1ACHEK1PIM1IDO1
SCHEMBL9388579 0.71 TSHR (0.53) APPTSHRHTR1A
SCHEMBL18197359 0.71 TSHR (0.53) APPTSHRHTR1A

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-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed