SCHEMBL28240495

SCHEMBL28240495

Cc1oc(N=O)cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.35
ALDH1A1 P00352 5/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PRKDC P78527 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL766908 0.75
SCHEMBL14100428 0.73 ERN1 (0.38) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL3095282 0.71
SCHEMBL15307457 0.71
SCHEMBL8654694 0.70 ERN1 (0.35) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL3102495 0.68 L3MBTL1 (0.47) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL16563747 0.68 ALDH1A1 (0.38) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL19834805 0.67 ALDH1A1 (0.42) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL27261858 0.67 ERN1 (0.38) ERN1ALDH1A1TSHRKDM4ETDP1
SCHEMBL6738062 0.65 ALDH1A1 (0.43) ERN1ALDH1A1KDM4ETDP1LMNA

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-108478615-A Treat the oral medicine of stomach trouble 姜明松 2018-09-04 CN disclosed