SCHEMBL9385245

SCHEMBL9385245

COc1cc(CCC(=O)NCCO)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL20718825 0.85 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL8867665 0.82 SMN1; SMN2 (0.52) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL30875697 0.82 SMN1; SMN2 (0.52) CYP1A2CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL9384240 0.81 MAPT (0.50) CYP1A2CYP3A4CYP2C19MAPTKMT2A
SCHEMBL9384459 0.81 KCNH2 (0.49) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL6023119 0.78 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL359110 0.78 PRMT5 (0.60) CYP3A4MAPTMEN1KMT2AALDH1A1
SCHEMBL10409077 0.76 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL29750606 0.76 TTR (0.64) CYP1A2CYP3A4CYP2C19MAPTMEN1
SCHEMBL704754 0.76 TTR (0.64) CYP1A2CYP3A4CYP2C19MAPTMEN1

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-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed