SCHEMBL22787145

SCHEMBL22787145

CC(=O)c1ccc(OCCCC=O)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.42
NNMT P40261 2/20 0.41
LSS P48449 2/20 0.40
KCNJ1 P48048 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 1/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36

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
SCHEMBL1092509 0.81 MAPT (0.56) MAPTL3MBTL1GAANNMT
SCHEMBL1092552 0.80 MAPT (0.74) MAPTL3MBTL1NNMTCXCR1CXCR2
SCHEMBL22773635 0.80 MAPT (0.51) MAPTL3MBTL1GAANNMTEPHX2
SCHEMBL29859242 0.80 MAPT (0.50) MAPTL3MBTL1GAANNMTEPHX2
SCHEMBL14480266 0.80 MAPT (0.50) MAPTL3MBTL1GAANNMTEPHX2
SCHEMBL2187452 0.80 MAPT (0.50) MAPTL3MBTL1GAANNMTKCNJ1
SCHEMBL22773699 0.78 MAPT (0.50) MAPTL3MBTL1GAACXCR1CXCR2
SCHEMBL19043133 0.78 L3MBTL1 (0.73) MAPTL3MBTL1GAAHRH3LMNA
SCHEMBL2713919 0.76 EPHX2 (0.60) MAPTL3MBTL1EPHX2
SCHEMBL2185720 0.75 MAPT (0.49) MAPTL3MBTL1GAANNMTKCNJ1

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-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 WO disclosed