SCHEMBL11041906

SCHEMBL11041906

Nc1cc(Cc2cc(N)c3oc(=O)[nH]c3c2)cc2[nH]c(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.34
NOS1 P29475 4/20 0.33
NOS3 P29474 3/20 0.33
NOS2 P35228 3/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OGT O15294 1/20 0.32
IL4I1 Q96RQ9 1/20 0.31
F2 P00734 1/20 0.31
CFD P00746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL8253228 0.76 NOS1 (0.49) KMONOS1NOS3NOS2LMNA
SCHEMBL31139539 0.76 NOS1 (0.49) KMONOS1NOS3NOS2LMNA
SCHEMBL11043657 0.75 KMO (0.34) KMONOS1NOS3NOS2LMNA
SCHEMBL5732582 0.74 POLB (0.38) KMONOS1NOS3NOS2LMNA
SCHEMBL11163899 0.72 CYP1A2 (0.37) KMOCYP1A2TSHR
SCHEMBL11040319 0.71 KMO (0.34) KMONOS1NOS3NOS2LMNA
SCHEMBL1250234 0.68 PSMB8 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL11334635 0.67 NOS1 (0.42) KMONOS1NOS3NOS2LMNA
SCHEMBL11041742 0.67 F2 (0.49) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL18062718 0.66 KMO (0.35) KMONOS1NOS3NOS2LMNA

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
EP-0045892-B1 PROCESS FOR THE PREPARATION OF PRECURSORS FOR POLYMERS CONTAINING THE OXAZOLIN-2-ONE RING, AND THEIR USE IN THE PRODUCTION OF HIGH MOLECULAR WEIGHT POLYMERS BAYER AG (DE) 1984-02-01 EP disclosed
EP-0050780-B1 ISOCYANATO-OXAZOLINONES, METHOD FOR THE PREPARATION OF OXAZOLIDIN-2-ONE RINGS CONTAINING PLASTICS PRECURSORS, AND THEIR USE IN THE PREPARATION OF HIGH-MOLECULAR PLASTICS BAYER AG (DE) 1983-12-28 EP disclosed
US-4350781-A Process for the preparation of polymer precursors containing oxazolin-2-one rings BAYER AKTIENGESELLSCHAFT (DE) 1982-09-21 US disclosed
EP-0050780-A1 Isocyanato-oxazolinones, method for the preparation of oxazolidin-2-one rings containing plastics precursors, and their use in the preparation of high-molecular plastics BAYER AG (DE) 1982-05-05 EP disclosed
EP-0045892-A1 Process for the preparation of precursors for polymers containing the oxazolin-2-one ring, and their use in the production of high molecular weight polymers BAYER AG (DE) 1982-02-17 EP disclosed