SCHEMBL28586646

SCHEMBL28586646

CC(C)(C)C(=O)OCCC#N.[Zn]

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRKCA P17252 1/20 0.36
HTT P42858 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
SCHEMBL8247883 0.98 MEN1 (0.46) MEN1KMT2APOLBGAANPSR1
SCHEMBL17694459 0.86 MEN1 (0.43) MEN1KMT2APOLBGAANPSR1
SCHEMBL17694457 0.84 MEN1 (0.42) MEN1KMT2APOLBGAANPSR1
SCHEMBL24961372 0.82 MEN1 (0.43) MEN1KMT2A
SCHEMBL19117106 0.82 MEN1 (0.43) MEN1KMT2A
SCHEMBL10010915 0.81 MEN1 (0.43) MEN1KMT2A
SCHEMBL10011134 0.80 MEN1 (0.50) MEN1KMT2A
SCHEMBL10012666 0.80 MEN1 (0.42) MEN1KMT2A
SCHEMBL10033538 0.80 MEN1 (0.46) MEN1KMT2A
SCHEMBL20528155 0.78 MEN1 (0.56) MEN1KMT2A

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
CN-108586500-B Zinc coordination complex and method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2021-06-25 CN disclosed