SCHEMBL10794871

SCHEMBL10794871

O=C1NC(=O)C(c2ccco2)N1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.55
POLB P06746 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
APEX1 P27695 1/20 0.52
ESR2 Q92731 1/20 0.52
MEN1 O00255 1/20 0.51
PABPC1 P11940 1/20 0.51
KMT2A Q03164 1/20 0.51
EIF4H Q15056 1/20 0.51
ADORA2A P29274 1/20 0.48
GAA P10253 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
SCHEMBL11908592 0.77 KDM4E (0.53) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL14467198 0.75 KDM4E (0.46) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL19732953 0.75 ADORA2B (0.78) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL19732954 0.75 ADORA2B (0.78) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL28070114 0.75 ADORA2B (0.60) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL19752683 0.70 ADORA2B (1.00) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL5347733 0.70 ADORA2B (1.00) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL4056038 0.69 GAA (0.54) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL12464054 0.69 GAA (0.54) ADORA2BPOLBL3MBTL1TDP1KDM4E
SCHEMBL13527924 0.69 TDP1 (0.80) TDP1KDM4EMEN1KMT2AGAA

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
WO-2016044777-A1 HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
US-4692513-A FOODS AND BEVERAGES THE PROCTER & GAMBLE COMPANY (US) 1987-09-08 US disclosed
US-4692512-A FOODS AND BEVERAGES THE PROCTER & GAMBLE COMPANY (US) 1987-09-08 US disclosed