SCHEMBL28028944

SCHEMBL28028944

BrCOc1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.51
PDGFRA P16234 4/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
CYP1A2 P05177 1/20 0.48
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BIRC5 O15392 1/20 0.44
MGAM O43451 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MET P08581 1/20 0.41
CYP2A6 P11509 1/20 0.41
NOTUM Q6P988 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
PIK3CD O00329 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
SCHEMBL30898597 0.86 RAB9A (0.50) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL29248551 0.86 RAB9A (0.50) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL30898600 0.84 PDGFRB (0.47) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL29248321 0.84 PDGFRB (0.47) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL30898596 0.83 PDGFRB (0.46) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL29248320 0.83 PDGFRB (0.46) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL29248323 0.82 PDGFRB (0.45) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL30898598 0.82 PDGFRB (0.45) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL13302131 0.81 RAB9A (0.55) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2
SCHEMBL272613 0.81 PDGFRB (0.51) PDGFRBPDGFRACHRNB2CHRNA4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746296-B Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-28 CN disclosed
CN-102746297-B Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD. (CH) 2015-08-26 CN disclosed