SCHEMBL30647220

SCHEMBL30647220

C[C@H]1C[C@@H]1n1cc(C(N)=O)cc(C(N)=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.35
▸ BRD9 Q9H8M2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ PARP15 Q460N3 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP2 Q9UGN5 3/20 0.32
▸ PARP3 Q9Y6F1 2/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ BRPF1 P55201 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KDM2B Q8NHM5 2/20 0.30

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
SCHEMBL30647145 1.00 BRD4 (0.35) BRD4BRD9MAPK1MEN1KMT2A
SCHEMBL29092183 1.00 BRD4 (0.35) BRD4BRD9MAPK1MEN1KMT2A
SCHEMBL30612666 0.75 BRD4 (0.35) BRD4BRD9PARP1PARP15PARP10
SCHEMBL30612659 0.75 BRD4 (0.35) BRD4BRD9PARP1PARP15PARP10
SCHEMBL29092378 0.72 PARP1 (0.40) BRD4KMT2APARP1PARP2CNR2
SCHEMBL18584635 0.72 BRD4 (0.49) BRD4BRD9MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL18584529 0.70 BRD4 (0.47) BRD4BRD9MAPK1MEN1KMT2A
SCHEMBL30647042 0.68 BRD4 (0.36) BRD4BRD9ALDH1A1BRPF1
SCHEMBL29092754 0.66 BRD4 (0.40) BRD4BRD9MAPK1PARP1PARP15
SCHEMBL24573834 0.62 KMT2A (0.38) KMT2ACNR2KDM4EALDH1A1HSD17B10

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-108137542-B Pyridone dicarboxamides as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-27 — — CN disclosed
Send feedback