SCHEMBL2736393

SCHEMBL2736393

c1ccc2c(c1)Oc1ccccc1C2Cc1ccc(CC2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
ATM Q13315 1/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
USP2 O75604 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL79265 0.94 MAOA (0.48) MAOAMAOBATMLMNAMEN1
SCHEMBL9719337 0.87 MEN1 (0.45) MAOAMAOBATMLMNAMEN1
SCHEMBL13839136 0.81 MAOA (0.39) MAOAMAOBATMLMNAMEN1
SCHEMBL9633190 0.80 CYP1A2 (0.51) ATMLMNAMEN1KMT2AMAPT
SCHEMBL7169479 0.79 LMNA (0.43) MAOAMAOBATMLMNACYP2C9
SCHEMBL2885969 0.79 HTT (0.44) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL3088498 0.79 KMT2A (0.40) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL30429168 0.77 MAOB (0.46) MAOAMAOBNPSR1
SCHEMBL3092190 0.77 KMT2A (0.37) MAOAMAOBMEN1KMT2AMAPT
SCHEMBL31545658 0.76 LMNA (0.41) MAOAMAOBATMLMNAMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766242-B2 Aromatic chalcogen compounds and their use E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-01 US disclosed
US-20120068166-A1 AROMATIC CHALCOGEN COMPOUNDS AND THEIR USE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-22 US disclosed
US-8089064-B2 Aromatic chalcogen compounds and their use E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-03 US disclosed
US-20090121627-A1 AROMATIC CHALCOGEN COMPOUNDS AND THEIR USE E. I. DU PONT DE NEMOURS AND COMPANY 2009-05-14 US disclosed
US-7504769-B2 Aromatic chalcogen compounds and their use E. I. DU PONT DE NEMOURS + COMPANY (US) 2009-03-17 US disclosed