SCHEMBL7956472

SCHEMBL7956472

[CH2]C(=O)Nc1ccccc1OCC

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
KMT2A Q03164 5/20 0.63
CYP2C19 P33261 1/20 0.63
KDM4E B2RXH2 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 3/20 0.60
LMNA P02545 2/20 0.60
MCL1 Q07820 1/20 0.60
TSHR P16473 2/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
EGFR P00533 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PTK2 Q05397 1/20 0.57
RAB9A P51151 1/20 0.57
CASP6 P55212 1/20 0.56
TDP1 Q9NUW8 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
SCHEMBL7959643 0.87 NPC1 (0.65) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL9297476 0.86 KMT2A (0.75) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL8110954 0.86 GAA (0.75) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL7956543 0.85 KMT2A (0.66) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL1645837 0.84 GAA (0.73) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL2835288 0.84 GAA (0.73) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL31527868 0.84 GAA (0.73) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL9312776 0.84 GAA (0.84) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL1791238 0.84 GAA (0.73) GAAKMT2ACYP2C19KDM4EL3MBTL1
SCHEMBL7955073 0.84 KMT2A (0.60) GAAKMT2ACYP2C19KDM4EL3MBTL1

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
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