SCHEMBL23255293

SCHEMBL23255293

N#C/C(=C\c1cc(N)c(O)c(O)c1)C(=O)N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
MEN1 O00255 6/20 0.67
ALDH1A1 P00352 5/20 0.67
GAA P10253 3/20 0.67
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
FTO Q9C0B1 2/20 0.66
COMT P21964 1/20 0.64
PKM P14618 1/20 0.59
EGFR P00533 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 1/20 0.51
ERBB2 P04626 1/20 0.49
NEK2 P51955 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL23255056 0.99 FTO (0.68) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL23254885 0.97 COMT (0.67) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL23255168 0.95 EGFR (0.65) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL23254887 0.86 FTO (0.55) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL18292294 0.80 KMT2A (1.00) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL24386486 0.80 COMT (0.65) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL29493654 0.80 FTO (1.00) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL7997312 0.80 FTO (1.00) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL29493659 0.80 FTO (1.00) KMT2AMEN1ALDH1A1GAAKDM4E
SCHEMBL4375314 0.79 KMT2A (0.97) KMT2AMEN1ALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3503883-B1 ENTACAPONE-RELATED COMPOUNDS TO TREAT MACULAR DEGENERATION NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2022-05-04 EP disclosed
EP-3885337-A1 FTO INHIBITORS National Institute Of Biological Sciences, Beijing (CN) 2021-09-29 EP disclosed
EP-3303283-B1 FTO INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-04-21 EP disclosed