SCHEMBL21098957

SCHEMBL21098957

CC(=N)c1ccc(OCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GAA P10253 2/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADRA2C P18825 1/20 0.38

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
SCHEMBL13897310 0.88 L3MBTL1 (0.43) L3MBTL1GAAALOX12MAPTALDH1A1
SCHEMBL18037724 0.84 FURIN (0.44) L3MBTL1GAAALOX12MAPTALDH1A1
SCHEMBL22815479 0.82 MAOB (0.46) SMN1; SMN2
SCHEMBL20197999 0.82 MAPT (0.43) L3MBTL1ALOX12MAPTALDH1A1KMT2A
SCHEMBL15176976 0.81 L3MBTL1 (0.48) L3MBTL1GAAALOX12MAPTALDH1A1
SCHEMBL22749389 0.80 KMT2A (0.49) L3MBTL1ALOX12MAPTALDH1A1HPGD
SCHEMBL557680 0.78 GPR119 (0.41) L3MBTL1GAAALOX12MAPTKMT2A
SCHEMBL1744893 0.78 GPR119 (0.41) L3MBTL1GAAALOX12MAPTKMT2A
SCHEMBL14616553 0.78 MAPT (0.44) GAAMAPTALDH1A1HPGDKMT2A
SCHEMBL13939362 0.77 MAPT (0.41) L3MBTL1GAAALOX12MAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022011458-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-01-20 — — WO disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 — — WO disclosed
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