SCHEMBL11099518

SCHEMBL11099518

NCCC(=NO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ATM Q13315 1/20 0.45
DRD4 P21917 2/20 0.44
HDAC8 Q9BY41 1/20 0.42
GAA P10253 2/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSL P07711 2/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6923110 0.90 HDAC8 (0.46) CA12CA1CA2CA9ATM
SCHEMBL7331705 0.84 ATM (0.46) CA12CA1CA2CA9ATM
SCHEMBL9834835 0.84 ATM (0.46) CA12CA1CA2CA9ATM
SCHEMBL8899427 0.82 ATM (0.45) CA12CA1CA2CA9ATM
SCHEMBL5449388 0.80 ATM (0.54) CA12CA1CA2CA9ATM
SCHEMBL14604957 0.80 ATM (0.54) CA12CA1CA2CA9ATM
SCHEMBL5449384 0.80 ATM (0.54) CA12CA1CA2CA9ATM
SCHEMBL6923108 0.79 GAA (0.50) CA12CA1CA2CA9ATM
SCHEMBL6157413 0.78 NR4A2 (0.57) CA12CA1CA2CA9ATM
SCHEMBL5099030 0.78 NR4A2 (0.57) CA12CA1CA2CA9ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040744-B1 AMINOPROPIOPHENONE OXIMES, PROCESSES FOR PREPARING THEM AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1984-02-08 EP claimed
EP-0040744-B1 AMINOPROPIOPHENONE OXIMES, PROCESSES FOR PREPARING THEM AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1984-02-08 EP disclosed
EP-0040744-B1 AMINOPROPIOPHENONE OXIMES, PROCESSES FOR PREPARING THEM AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1984-02-08 EP disclosed
EP-0040744-A1 Aminopropiophenone oximes, processes for preparing them and their use as fungicides BAYER AG (DE) 1981-12-02 EP disclosed