SCHEMBL28294867

SCHEMBL28294867

O=C(c1cccc(C(=O)N2CCOCC2)c1)c1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.71
L3MBTL1 Q9Y468 1/20 0.66
KDM4E B2RXH2 1/20 0.64
TSHR P16473 3/20 0.62
RECQL P46063 1/20 0.62
PKM P14618 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 1/20 0.58
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
ERN1 O75460 1/20 0.56

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
SCHEMBL10720509 0.95 L3MBTL1 (0.71) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL1199986 0.88 L3MBTL1 (0.64) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL30577960 0.88 L3MBTL1 (0.64) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL3227656 0.87 MEN1 (0.63) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL3076585 0.87 TSHR (0.67) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL7069211 0.85 HPGD (0.71) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL30957421 0.85 HPGD (0.71) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL6940127 0.83 PHGDH (0.66) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL1196357 0.83 KDM4E (0.65) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL520393 0.83 L3MBTL1 (0.62) HPGDL3MBTL1KDM4ETSHRRECQL

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
CN-109890821-A Amino-pyrrolopyrimidine ketone compound and its application method 艾科尔公司 2019-06-14 CN disclosed