SCHEMBL11040992

SCHEMBL11040992

Nc1cc2oc(=O)[nH]c2cc1Cc1cc2[nH]c(=O)oc2cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.50
NOS1 P29475 4/20 0.43
NOS3 P29474 3/20 0.43
NOS2 P35228 3/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
ADRA2A P08913 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OGT O15294 1/20 0.40
IL4I1 Q96RQ9 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
POLB P06746 1/20 0.38
CREBBP Q92793 1/20 0.36
ALOX15 P16050 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
SCHEMBL11043599 0.93 KMO (0.50) KMONOS1NOS3NOS2CYP1A2
SCHEMBL9370924 0.88 KMO (0.49) KMONOS1NOS3NOS2CYP1A2
SCHEMBL9680309 0.83 KMO (0.59) KMONOS1NOS3NOS2CYP1A2
SCHEMBL1115840 0.76 KMO (0.72) KMONOS1NOS3NOS2CYP1A2
SCHEMBL522196 0.76 NOS1 (0.53) KMONOS1NOS3NOS2CYP1A2
SCHEMBL7067142 0.76 KMO (0.52) KMONOS1NOS3NOS2CYP1A2
SCHEMBL11070843 0.75 KMO (0.50) KMONOS1NOS3NOS2CYP1A2
SCHEMBL30295627 0.74 KMO (0.68) KMONOS1NOS3NOS2CYP1A2
SCHEMBL9874657 0.73 KMO (0.52) KMONOS1NOS3NOS2CYP1A2
SCHEMBL11040016 0.73 NOS1 (0.53) KMONOS1NOS3NOS2CYP1A2

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