SCHEMBL28103142

SCHEMBL28103142

Brc1cccc2c1C(Br)c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
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
ATM Q13315 2/20 0.38
CYP2C9 P11712 1/20 0.35
AHR P35869 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL6129307 0.80 MAOA (0.62) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL1127940 0.80 MAOA (0.58) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL784718 0.71 MAPK1 (0.37) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL19885491 0.71 MAOA (0.58) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL7257122 0.68 MAOA (0.45) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL2885695 0.67 KDM1A (0.31) MEN1KMT2A
SCHEMBL5640220 0.67 MAOA (0.44) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL11357001 0.66 MAPK1 (0.49) MAOAMEN1KMT2ALMNAMAPT
SCHEMBL19458502 0.65 MAOA (0.64) MAOAMAOBHDAC3HDAC4HDAC1
SCHEMBL16835547 0.64 MAOA (0.61) MAOAMAOBHDAC3HDAC4HDAC1

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
CN-106008537-A Bipolar body organic electroluminescent material and application thereof 中节能万润股份有限公司 2016-10-12 CN disclosed