SCHEMBL7459678

SCHEMBL7459678

C#C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)/C=C/C2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.35
ITGB3 P05106 10/20 0.34
ITGA2B P08514 10/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
EPHX1 P07099 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
CHRM1 P11229 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
SCHEMBL7444296 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7439734 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7467594 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7440116 0.91 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7442706 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7440764 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7437958 0.88 KMT2A (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7439747 0.88 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7437044 0.87 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7459685 0.85 MEN1 (0.38) KMT2AMEN1ALDH1A1MAPTHPGD

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed