SCHEMBL7825129

SCHEMBL7825129

CO[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
DRD2 P14416 4/20 0.44
DRD4 P21917 4/20 0.44
DRD3 P35462 4/20 0.44
NPFFR1 Q9GZQ6 1/20 0.43
NPFFR2 Q9Y5X5 1/20 0.43
MAOB P27338 3/20 0.41
BCHE P06276 3/20 0.41
ACHE P22303 1/20 0.41
PDE4B Q07343 1/20 0.41
KDM1A O60341 1/20 0.41
KCNA3 P22001 1/20 0.41
JAK1 P23458 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MEN1 O00255 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL7825126 1.00 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL8741001 1.00 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL7825124 1.00 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL735701 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL1470584 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL1470577 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL1470579 0.90 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL763170 0.88 KMT2A (0.52) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL7834998 0.87 KMT2A (0.55) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL19121559 0.87 KMT2A (0.55) KMT2AL3MBTL1DRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-5817669-A A COMPOUND CONTAINING 1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0787726-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 EP disclosed