SCHEMBL21985369

SCHEMBL21985369

O=C(NO)C1CCN2CCCN=C12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
INMT O95050 3/20 0.34
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC4 P56524 2/20 0.31
HTT P42858 1/20 0.31
ADAM10 O14672 1/20 0.31
ERBB2 P04626 1/20 0.31
MMP2 P08253 1/20 0.31
USP2 O75604 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
SCHEMBL809857 0.73 INMT (0.41) INMTHTTUSP2
SCHEMBL20445284 0.72 INMT (0.33) INMT
SCHEMBL6860467 0.71 NOS3 (0.43) INMTUSP2
SCHEMBL1741681 0.68 INMT (0.36) INMTUSP2
SCHEMBL11983584 0.67 INMT (0.35) INMTHTT
SCHEMBL809703 0.66 INMT (0.36) INMTUSP2
SCHEMBL21280022 0.65
SCHEMBL6860421 0.64 NOS3 (0.48) INMTUSP2
SCHEMBL6859100 0.62 NOS3 (0.47) INMTUSP2
SCHEMBL20438246 0.62 INMT (0.32) INMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650430-A1 INTERMEDIATES AND PROCESSES FOR THE SYNTHESIS OF HERBICIDES FMC Corporation (US) 2020-05-13 EP disclosed