SCHEMBL25626841

SCHEMBL25626841

CCOCCn1nc(C(=O)OCC)c2c1C(=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
CDK4 P11802 1/20 0.38
CCND3 P30281 1/20 0.38
CDK6 Q00534 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 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
SCHEMBL3503568 0.89 HTT (0.44) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3503750 0.88 BRD4 (0.41) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3502692 0.87 BRD4 (0.45) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL3502504 0.86 CCNA2 (0.46) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL4148044 0.86 BRD4 (0.40) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL21995756 0.85 BRD4 (0.43) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL25624954 0.85 ALDH1A1 (0.41) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL4159155 0.84 LMNA (0.42) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL12499289 0.83 CCNA2 (0.46) BRD4MEN1KMT2ANPSR1ALDH1A1
SCHEMBL4170831 0.82 BRD4 (0.41) BRD4MEN1KMT2ANPSR1ALDH1A1

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
WO-2023104178-A1 PROTEIN KINASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 山东绿叶制药有限公司 2023-06-15 WO disclosed