SCHEMBL29694579

SCHEMBL29694579

C=CCN(C(=S)OCC)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL28234477 0.79 CA12 (0.32) MEN1KMT2ACA12CA1CA2
SCHEMBL28454497 0.78 CA12 (0.37) CA12CA1CA2CA9CHRNB2
SCHEMBL30409888 0.75 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL29694576 0.73 ALDH1A1 (0.31) CA12CA1CA2CA9
SCHEMBL29694574 0.68 ALDH1A1 (0.40) CA12CA1CA2CA9
SCHEMBL6213862 0.67 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL2941786 0.66 KMT2A (0.39) MEN1KMT2A
SCHEMBL6030525 0.66
SCHEMBL3322988 0.66 KMT2A (0.39) MEN1KMT2A
SCHEMBL465316 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112264194-B High-efficiency flotation collector for high-sulfur iron easily-argillized fine-grained complex-embedded copper-molybdenum ores and preparation method and application thereof 昆明冶金研究院有限公司 2022-06-07 CN claimed
CN-112264194-B High-efficiency flotation collector for high-sulfur iron easily-argillized fine-grained complex-embedded copper-molybdenum ores and preparation method and application thereof 昆明冶金研究院有限公司 2022-06-07 CN disclosed