SCHEMBL10659526

SCHEMBL10659526

O=c1c2c(n(CCc3ccccc3)c3ncccc13)OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
ENPP2 Q13822 2/20 0.41
CASR P41180 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALB P02768 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL10657699 0.93 PLK1 (0.43) PLK1HDAC1HDAC11HDAC8HDAC6
SCHEMBL10659571 0.88 PTGDR2 (0.45) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL10657603 0.88 HRH1 (0.43) GAAHSD17B10
SCHEMBL10659341 0.83 P2RX4 (0.47) HDAC8HDAC6MAPTCASRALDH1A1
SCHEMBL10657054 0.82 ENPP2 (0.43) HDAC1HDAC11HDAC8HDAC6MAPT
SCHEMBL10653946 0.82 PLK1 (0.47) PLK1HDAC1HDAC11HDAC8HDAC6
SCHEMBL10654623 0.81 HRH1 (0.42) HSD17B10
SCHEMBL10656830 0.79 PLK1 (0.42) PLK1HDAC1HDAC11HDAC8HDAC6
SCHEMBL9352322 0.77 FEN1 (0.47) ALDH1A1CYP2C19
SCHEMBL10658805 0.76 MAPT (0.45) MAPTALDH1A1MEN1KMT2ACYP1A2

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-4740511-A ANTIALLERGENS, ANTIINFLAMMATORY, ANTIULCER AGENTS SCHERING CORPORATION (US) 1988-04-26 US disclosed
US-4680298-A Tricyclic anti-allergy and use as anti-inflammatory agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
US-4680297-A Tricyclic positive inotropic agents SCHERING CORPORATION (US) 1987-07-14 US disclosed
EP-0127135-A2 Fused tricyclic derivatives of naphthyridinone and pyridone and the corresponding thiones SCHERING CORPORATION (US) 1984-12-05 EP disclosed