SCHEMBL7945842

SCHEMBL7945842

[CH2]CCNC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.74
MEN1 O00255 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.63
MAPK1 P28482 1/20 0.63
RXFP1 Q9HBX9 1/20 0.61
BRD4 O60885 2/20 0.60
NPC1 O15118 1/20 0.60
SLC29A1 Q99808 1/20 0.58
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL7956522 0.91 KMT2A (0.80) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL7945854 0.89 KMT2A (0.83) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL7956500 0.88 KMT2A (0.86) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL7952955 0.87 KMT2A (0.69) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL10790461 0.85 KMT2A (0.77) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL2926341 0.85 KMT2A (0.77) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL7955009 0.83 RAB9A (0.66) KMT2AMEN1SMN1; SMN2POLBNPC1
SCHEMBL2925817 0.83 KMT2A (0.82) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL3207873 0.83 SMN1; SMN2 (0.79) KMT2AMEN1SMN1; SMN2POLBMAPK1
SCHEMBL8599574 0.81 KMT2A (0.71) KMT2AMEN1SMN1; SMN2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
CN-1262685-A Naphthyridine derivatives OTSUKA PHARMA CO LTD (JP) 2000-08-09 CN disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed
US-3985881-A 1(3,4,5-Trimethoxybenzamido methyl) tetrahydro isoquinoline derivatives and a process for their production MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-10-12 US disclosed