SCHEMBL11040962

SCHEMBL11040962

CCC(c1cc(N)c2[nH]c(=O)oc2c1)c1cc(N)c2[nH]c(=O)oc2c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MCL1 Q07820 1/20 0.30
KMO O15229 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
SCHEMBL11158078 0.76
SCHEMBL11040536 0.74 NOS1 (0.49) NOS1NOS3NOS2MCL1KMO
SCHEMBL11040319 0.72 KMO (0.34) NOS1NOS3NOS2MCL1KMO
SCHEMBL9954750 0.70 GRM5 (0.37) NOS1NOS3NOS2MCL1KMO
SCHEMBL11282616 0.70 MCL1 (0.33) NOS1NOS3NOS2MCL1KMO
SCHEMBL9385343 0.67 NOS1 (0.38) NOS1NOS3NOS2MCL1KMO
SCHEMBL14280505 0.65 NOS1 (0.39) NOS1NOS3NOS2MCL1KMO
SCHEMBL520456 0.64 NOS1 (0.41) NOS1NOS3NOS2MCL1KMO
SCHEMBL9380376 0.64 NOS1 (0.41) NOS1NOS3NOS2MCL1KMO
SCHEMBL14126363 0.63 ALDH1A1 (0.50)

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