Simazine

Simazine

SCHEMBL9760796

C=CC=O.CCNc1nc(Cl)nc(NCC)n1.Nc1nc[nH]n1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.37
GAA P10253 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.35
PDE4A P27815 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 1/20 0.35
MCL1 Q07820 1/20 0.35
PKM P14618 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
Simazine SCHEMBL9791448 0.81 LMNA (0.70) LMNAMAPTGAATDP1KMT2A
Atrazine SCHEMBL9751928 0.71 GAA (0.39) LMNAMAPTGAATDP1KMT2A
Simazine SCHEMBL9876727 0.69 LMNA (0.32) LMNAGAATDP1PDE4APKM
Simazine SCHEMBL9130727 0.68 LMNA (1.00) LMNAMAPTGAATDP1KMT2A
Simazine SCHEMBL37774 0.68 LMNA (1.00) LMNAMAPTGAATDP1KMT2A
Simazine SCHEMBL8409822 0.68 LMNA (1.00) LMNAMAPTGAATDP1KMT2A
Ametryne SCHEMBL8541226 0.68 HTT (0.47) LMNAMAPTGAAKMT2AL3MBTL1
Ametryne SCHEMBL9700579 0.68 HTT (0.47) LMNAMAPTGAAKMT2AL3MBTL1
SCHEMBL29400485 0.67 LMNA (0.72) LMNAMAPTGAAKMT2APDE4A
SCHEMBL1425806 0.67 LMNA (0.72) LMNAMAPTGAAKMT2APDE4A

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
US-4983389-A CONTROLLED RELEASE USING A SUPERABSORBENT SOLID ACRYLIC POLYMER LEE COUNTY MOSQUITO CONTROL DISTRICT (US) 1991-01-08 US disclosed