SCHEMBL31424697

SCHEMBL31424697

Cc1nc2c(OC(C)C)cc(CBr)cc2[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.34
P2RX3 P56373 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
PDE5A O76074 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
PARP1 P09874 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
GAA P10253 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 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
SCHEMBL31424696 0.89 KDM4E (0.35) MAPK1LMNAKDM4EGRIN2DGRIN3B
SCHEMBL31424608 0.87 PARP1 (0.37) MAPK1LMNAP2RX3POLBL3MBTL1
SCHEMBL31424746 0.83 MAPT (0.38) LMNAKDM4ETRPV1PDE5APARP1
SCHEMBL31424573 0.83 PDE5A (0.33) MAPK1LMNAP2RX3TRPV1PDE5A
SCHEMBL31424714 0.80 IDH1 (0.33) PARP1
SCHEMBL30979307 0.79 GRIN2D (0.36) POLBKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL31424625 0.79 PDE4B (0.37) POLBPARP1
SCHEMBL31424693 0.79 GRIN1 (0.37) POLBGRIN1GRIN2B
SCHEMBL31424682 0.79 GRIN1 (0.37) POLBGRIN1GRIN2B
SCHEMBL30979321 0.78 GRIN2D (0.35) LMNAKDM4EGRIN2DGRIN3BGRIN1

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-120020129-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-05-20 CN disclosed
CN-119431314-A Substituted nitrogen-containing bicyclic compounds and uses thereof 广东东阳光药业股份有限公司 2025-02-14 CN disclosed