SCHEMBL5605786

SCHEMBL5605786

O=C(O)CC1C=NOc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
CYP2C9 P11712 1/20 0.35
ATM Q13315 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
APEX1 P27695 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL5921179 0.75 CYP2C9 (0.38) CYP2C9ATMMAPTALDH1A1LMNA
SCHEMBL1574529 0.72 EGFR (0.36) EGFRCYP2C9ATMMAPTALDH1A1
SCHEMBL6986456 0.72 CYP1A2 (0.49) CYP2C9ATMMAPTLMNATSHR
SCHEMBL2989947 0.71 KDM1A (0.46) EGFRATMMAPTALDH1A1LMNA
SCHEMBL5473567 0.70 ATM (0.47) CYP2C9ATMMAPTALDH1A1LMNA
SCHEMBL5585840 0.70 ATM (0.36) CYP2C9ATMMAPTALDH1A1MEN1
SCHEMBL5338882 0.67 LMNA (0.52) EGFRCYP2C9ATMLMNAMEN1
SCHEMBL307459 0.66 MAOA (0.34) MAOAMAOB
SCHEMBL4553391 0.65 HTT (0.47) ALDH1A1HPGDMEN1KMT2AAPEX1
SCHEMBL203850 0.65 PPARG (0.62) PPARGPPARD

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-1778275-A2 COMBINATION THERAPY FOR DIABETES, OBESITY, AND CARDIOVASCULAR DISEASES USING GDF-8 INHIBITORS Wyeth (US) 2007-05-02 EP disclosed
WO-2006020884-A2 COMBINATION THERAPY FOR DIABETES, OBESITY, AND CARDIOVASCULAR DISEASES USING GDF-8 INHIBITORS WYETH (US) 2006-02-23 WO disclosed
US-3923709-A 3,4-Dihydro-3-oxo-2H-1,4-benzothiazines and benzoxazines MONSANTO CO 1975-12-02 US disclosed