SCHEMBL11248685

SCHEMBL11248685

CC(C)C(Cn1cccn1)=NO

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
TSHR P16473 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NOS1 P29475 5/20 0.36
BRD4 O60885 1/20 0.35
NOS3 P29474 1/20 0.35
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GLS O94925 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31

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
SCHEMBL11248682 1.00 FDPS (0.39) FDPSTSHRADRB2ADRB1ADRB3
SCHEMBL11225805 0.76 NOS1 (0.41) FDPSTSHRNOS1BRD4NOS3
SCHEMBL11225802 0.76 NOS1 (0.41) FDPSTSHRNOS1BRD4NOS3
SCHEMBL13101056 0.74 FDPS (0.44) FDPSTSHRADRB2ADRB1ADRB3
SCHEMBL11245279 0.74 NLRP3 (0.34) FDPSTSHRADRB2ADRB1ADRB3
SCHEMBL11226724 0.71 MEN1 (0.41) FDPS
SCHEMBL11226720 0.71 MEN1 (0.41) FDPS
SCHEMBL11235939 0.71 FDPS (0.35) FDPSTSHRNOS1BRD4NOS3
SCHEMBL11235953 0.71 FDPS (0.35) FDPSTSHRNOS1BRD4NOS3
SCHEMBL18231656 0.71

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
US-4359469-A Combating pests with N-sulphenylated oxime-carbamates BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed
EP-0005780-A1 N,N'-asymmetrically substituted thio-bis-amines, process for their preparation and their use as insecticides, acaricides and nematocides BAYER AG (DE) 1979-12-12 EP disclosed