SCHEMBL4758767

SCHEMBL4758767

CCN(C(O)=S)C(C)C.CCN(CC(C)C)C(O)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
EHMT2 Q96KQ7 3/20 0.32
EHMT1 Q9H9B1 3/20 0.32
ABCB11 O95342 2/20 0.32
HTT P42858 2/20 0.32
GSDMD P57764 2/20 0.32
CA4 P22748 2/20 0.32
CYP2E1 P05181 1/20 0.32
PTGS1 P23219 1/20 0.32
PHGDH O43175 1/20 0.31
PLIN1 O60240 1/20 0.31
GMNN O75496 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL4758896 0.88 CA12 (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL4758523 0.83
SCHEMBL1828127 0.76 CA12 (0.59) CA12CA1CA2CA9KMT2A
SCHEMBL2923512 0.70 CA12 (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL8935586 0.69 CA12 (0.50) CA12CA1CA2CA9KMT2A
Ammonia Solution, Strong SCHEMBL28593728 0.69 CA12 (0.50) CA12CA1CA2CA9KMT2A
SCHEMBL3773495 0.69 CA12 (0.50) CA12CA1CA2CA9KMT2A
SCHEMBL689792 0.68
SCHEMBL8935573 0.67 ALDH1A1 (0.65) CA12CA1CA2CA9KMT2A
SCHEMBL7119297 0.66

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
WO-2008019451-A1 COLLECTORS AND FLOTATION METHODS AB TALL (HOLDINGS) PTY LTD (AU) 2008-02-21 WO disclosed