SCHEMBL20145843

SCHEMBL20145843

COC(=O)C[N+](C)(C)CCCNC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 3/20 0.33
CBLB Q13191 3/20 0.32
RECQL P46063 1/20 0.32
EPHX1 P07099 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
SCHEMBL20145974 0.82 TSHR (0.37) KMT2AATMTSHRCBLB
SCHEMBL13521242 0.80 CBLB (0.39) KMT2AATMCBLB
SCHEMBL19488628 0.79 ZDHHC20 (0.47) KMT2AATMHTTTSHRCBLB
SCHEMBL13415944 0.79 KMT2A (0.35) KMT2AATMHTTTSHRCBLB
Hydrochloric Acid SCHEMBL2124456 0.78 KMT2A (0.34) KMT2AATMHTTCBLB
SCHEMBL13884700 0.76 CBLB (0.41) KMT2AATMHTTTSHRCBLB
SCHEMBL17244840 0.75 FAAH (0.53)
SCHEMBL27482156 0.75 FAAH (0.53)
SCHEMBL28022583 0.75 ACHE (0.43) KMT2ATSHR
SCHEMBL15044413 0.74 TSHR (0.58) TSHR

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-3320776-A1 COMPOSITIONS AND METHODS FOR CONTROLLING FUNGAL AND BACTERIAL DISEASES IN PLANTS Bayer CropScience LP (US) 2018-05-16 EP disclosed