SCHEMBL11786409

SCHEMBL11786409

CNC(=O)Oc1cc(C)c(CN(C)C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.40
BCHE P06276 6/20 0.40
RAF1 P04049 4/20 0.40
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
Mexacarbate SCHEMBL6738142 0.80 ACHE (0.44) ACHEBCHERAF1ALDH1A1KDM4E
Mexacarbate SCHEMBL121459 0.80 ACHE (0.44) ACHEBCHERAF1ALDH1A1KDM4E
SCHEMBL119743 0.79 RAF1 (0.48) ACHEBCHERAF1ALDH1A1KDM4E
SCHEMBL5933707 0.77 RAF1 (0.45) ACHEBCHERAF1ALDH1A1KDM4E
Mexacarbate SCHEMBL7532034 0.77 RAF1 (0.45) ACHEBCHERAF1ALDH1A1KDM4E
SCHEMBL11725210 0.74 RAF1 (0.47) ACHEBCHERAF1ALDH1A1KDM4E
SCHEMBL7649071 0.74 LMNA (0.45) ACHEBCHERAF1ALDH1A1KDM4E
SCHEMBL434594 0.74 RAF1 (0.39) ACHEBCHERAF1ALDH1A1KDM4E
SCHEMBL11307820 0.73 RAF1 (0.40) ACHEBCHERAF1ALDH1A1KDM4E
SCHEMBL121131 0.73 ACHE (0.43) ACHEBCHEALDH1A1

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-3966961-A Methanesulfonic acid-2-bromoethyl ester nematocide CIBA-GEIGY CORPORATION (US) 1976-06-29 US disclosed