SCHEMBL23355759

SCHEMBL23355759

NC(=O)C(CCC(=O)O)N1Cc2c(I)cccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 4/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
STAT3 P40763 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
SCHEMBL23355757 1.00 KDM4E (0.44) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL501841 0.87 KDM4E (0.45) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL2257304 0.87 KDM4E (0.45) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL30677181 0.87 KDM4E (0.45) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL20425363 0.87 KDM4E (0.45) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL28606425 0.86 NPC1 (0.37) KDM4EALDH1A1POLBL3MBTL1ALOX15
SCHEMBL26317865 0.86 NPC1 (0.37) KDM4EALDH1A1POLBL3MBTL1ALOX15
SCHEMBL7849736 0.86 KDM4E (0.44) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL7673144 0.86 KDM4E (0.44) KDM4EALDH1A1POLBHPGDMAPK1
SCHEMBL18639834 0.86 KDM4E (0.44) KDM4EALDH1A1POLBHPGDMAPK1

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
EP-3820532-A2 DIMERIC IMMUNO-MODULATORY COMPOUNDS AGAINST CEREBLON-BASED MECHANISMS H. Lee Moffitt Cancer Center & Research Institute, Inc. (US) 2021-05-19 EP disclosed