SCHEMBL22965232

SCHEMBL22965232

O=C(O)CCCn1ncc2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.82
RECQL P46063 2/20 0.53
CYP1A2 P05177 1/20 0.53
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.52
FABP4 P15090 2/20 0.51
FABP5 Q01469 2/20 0.51
PTGIR P43119 2/20 0.51
P2RX7 Q99572 1/20 0.50
DAO P14920 1/20 0.47
S1PR1 P21453 1/20 0.47
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL31427168 0.90 KMO (1.00) KMORECQLCYP1A2HSD17B10TSHR
SCHEMBL324038 0.90 KMO (1.00) KMORECQLCYP1A2HSD17B10TSHR
SCHEMBL28736790 0.88 KMO (0.68) KMORECQLCYP1A2HSD17B10KDM4E
SCHEMBL29328557 0.82 KMO (0.63) KMOHSD17B10KDM4ETSHRPTGIR
SCHEMBL22965272 0.80 KMO (0.58) KMORECQLCYP1A2HSD17B10KDM4E
SCHEMBL29544889 0.80 KMO (0.71) KMORECQLCYP1A2HSD17B10KDM4E
SCHEMBL4951648 0.80 KMO (0.61) KMORECQLCYP1A2HSD17B10TSHR
SCHEMBL3374171 0.80 KMO (0.71) KMORECQLCYP1A2HSD17B10KDM4E
SCHEMBL8889255 0.79 KMO (0.74) KMORECQLCYP1A2HSD17B10KDM4E
SCHEMBL5365409 0.79 KMO (0.59) KMORECQLCYP1A2HSD17B10TSHR

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-2021023796-A1 COMPOSITIONS FOR TRANSFECTING A NUCLEIC ACID MOLECULE INTO A CELL COMPRISING HETEROCYCLIC COMPOUNDS GRAFTED TO A CATIONIC POLYMER, AND THEIR APPLICATIONS POLYPLUS TRANSFECTION (FR) 2021-02-11 WO disclosed