SCHEMBL4413186

SCHEMBL4413186

NCC(O)Cc1cccc(/C=C/c2c(Cl)cccc2Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.36
RAF1 P04049 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
PNMT P11086 1/20 0.33
CYP19A1 P11511 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PLAU P00749 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL4174564 1.00 NR1H4 (0.36) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4169685 1.00 NR1H4 (0.36) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4174556 1.00 NR1H4 (0.36) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4169693 1.00 NR1H4 (0.36) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4169691 1.00 NR1H4 (0.36) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4170215 0.87 NR1H4 (0.37) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4186051 0.87 NR1H4 (0.37) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4186055 0.87 NR1H4 (0.37) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4170213 0.87 NR1H4 (0.37) NR1H4RAF1KMT2AMEN1GRIN1
SCHEMBL4170205 0.87 NR1H4 (0.37) NR1H4RAF1KMT2AMEN1GRIN1

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
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP claimed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO claimed
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed