SCHEMBL11245459

SCHEMBL11245459

COCC(C)(C)/C(Cn1cccn1)=N\O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
FDPS P14324 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
SCHEMBL11245461 1.00 NOS3 (0.31) NOS3NOS1FDPS
SCHEMBL11229989 0.82 NOS1 (0.35) NOS3NOS1FDPS
SCHEMBL11246276 0.82 NOS1 (0.32) NOS3NOS1FDPS
SCHEMBL11230004 0.82 NOS1 (0.35) NOS3NOS1FDPS
SCHEMBL11246274 0.82 NOS1 (0.32) NOS3NOS1FDPS
SCHEMBL11235953 0.81 FDPS (0.35) NOS3NOS1FDPS
SCHEMBL11235939 0.81 FDPS (0.35) NOS3NOS1FDPS
SCHEMBL11250048 0.79 NOS3 (0.31) NOS3NOS1FDPS
SCHEMBL11250045 0.79 NOS3 (0.31) NOS3NOS1FDPS
SCHEMBL11236102 0.77 CYP19A1 (0.33) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344953-A INSECTICIDES, NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
EP-0005249-B1 SUBSTITUTED ALKANYL-AZOLYL CARBAMATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES, ACARICIDES AND NEMATOCIDES BAYER AG (DE) 1981-09-02 EP disclosed
EP-0005249-A2 Substituted alkanyl-azolyl carbamates, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-11-14 EP disclosed