SCHEMBL7558381

SCHEMBL7558381

Oc1nc2ccccc2c2cccc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CLK1 P49759 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2A6 P11509 2/20 0.42
GUSB P08236 2/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
C1R P00736 2/20 0.39
BCHE P06276 1/20 0.39
DHODH Q02127 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
SCHEMBL30914218 0.85 MAOA (0.45) MAOAMAOBCLK1CDK9CDK5
SCHEMBL28475918 0.85 MAOA (0.45) MAOAMAOBCLK1CDK9CDK5
SCHEMBL72815 0.78 DHFR (0.46) MAOAMAOBCLK1CYP1A2CYP2A6
SCHEMBL7607540 0.73 GPR3 (0.54) MAOAMAOBCYP1A2KMT2ADHODH
SCHEMBL6706992 0.73 PDE3B (0.46) MAOAMAOBCLK1CDK9CDK5
SCHEMBL10654059 0.73 MAOA (0.65) MAOAMAOBCLK1CDK9CDK5
SCHEMBL29344541 0.73 PARP1 (0.42) KMT2AMEN1C1RBCHEDHODH
SCHEMBL30170473 0.72 MAOA (0.52) MAOAMAOBCYP1A2KMT2AMEN1
SCHEMBL4058577 0.72 MAOA (0.52) MAOAMAOBCYP1A2KMT2AMEN1
SCHEMBL28961139 0.72 MAOA (0.64) MAOAMAOBCYP1A2KMT2AMEN1

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
CN-111867634-A Enhanced translocation of micro/nanoparticles across the mucus layer using alginate oligomers 阿尔吉法玛公司 2020-10-30 CN disclosed
EP-0937044-B1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NAT RECH SCIENT (FR) 2002-01-30 EP disclosed
EP-0937044-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-08-25 EP disclosed
WO-1998005642-A1 CFTR CHANNEL ACTIVATOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-02-12 WO disclosed