SCHEMBL9004593

SCHEMBL9004593

CC(C)C(=O)Oc1ccc2c(c1)OCN(CCCl)C2=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 4/20 0.36
PRMT5 O14744 9/20 0.36
WDR77 Q9BQA1 9/20 0.36
ELANE P08246 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
GRM5 P41594 1/20 0.34
CYP2C9 P11712 1/20 0.34
GSTP1 P09211 1/20 0.34

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
SCHEMBL8640678 0.87 LMNA (0.39) LMNAMAPTPRMT5WDR77ALDH1A1
SCHEMBL9004558 0.83 LMNA (0.41) LMNAMAPTPRMT5WDR77ELANE
SCHEMBL8640666 0.83 ACHE (0.42)
SCHEMBL9171923 0.82 ROCK2 (0.44) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL8981074 0.79 LMNA (0.39) LMNAMAPTPRMT5WDR77ALDH1A1
SCHEMBL9174102 0.76 CYP19A1 (0.39) MEN1KMT2ACYP2C9
SCHEMBL8643444 0.76 MAOB (0.44) ALDH1A1KDM4E
SCHEMBL9169246 0.74 MAOB (0.38)
SCHEMBL8658972 0.73 SMN1; SMN2 (0.39) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL8576909 0.72 ROCK2 (0.44) LMNAMAPTALDH1A1KDM4EHPGD

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-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US disclosed