SCHEMBL28978593

SCHEMBL28978593

CCOc1ccc2c(O)c(C#N)c(=O)n(-c3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.37
MAT2A P31153 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
PDE7A Q13946 1/20 0.36

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
SCHEMBL29417527 0.84 ADORA2A (0.41) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL28978569 0.83 ADORA2A (0.42) ADORA2AADORA1KDM4EALDH1A1LMNA
SCHEMBL29417532 0.82 MAT2A (0.50) KDM4EALDH1A1MAPTRECQLMAT2A
SCHEMBL28978594 0.82 MAT2A (0.50) KDM4EALDH1A1MAPTRECQLMAT2A
SCHEMBL8804203 0.77 FEN1 (0.54) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL28978823 0.76 ALDH1A1 (0.37) KDM4EALDH1A1MAPTRECQLMEN1
SCHEMBL29417557 0.76 MAT2A (0.42) ALDH1A1MAT2AMEN1KMT2AGAA
SCHEMBL29417554 0.76 ALDH1A1 (0.37) KDM4EALDH1A1MAPTRECQLMEN1
SCHEMBL28978832 0.76 MAT2A (0.42) ALDH1A1MAT2AMEN1KMT2AGAA
SCHEMBL16088478 0.75 MEN1 (0.39) KDM4EALDH1A1LMNAMAPTRECQL

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
CN-115916778-A Methionine adenosyltransferase inhibitor, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2023-04-04 CN disclosed
WO-2022053022-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 赛诺哈勃药业(成都)有限公司 2022-03-17 WO disclosed