SCHEMBL12177682

SCHEMBL12177682

COc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccccc4)cc3)C(=O)N2C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.70
▸ MGAM O43451 5/20 0.70
▸ CA12 O43570 5/20 0.70
▸ CA1 P00915 5/20 0.70
▸ CA2 P00918 5/20 0.70
▸ FAAH O00519 1/20 0.64
▸ AURKA O14965 3/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.60
▸ POLB P06746 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PTPN2 P17706 2/20 0.55
▸ PTPN1 P18031 2/20 0.55
▸ ACP1 P24666 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL12177712 0.90 AURKA (0.75) CA9MGAMCA12CA1CA2
SCHEMBL12177573 0.89 AURKA (0.60) CA9MGAMCA12CA1CA2
SCHEMBL12177688 0.89 CA9 (0.57) CA9MGAMCA12CA1CA2
SCHEMBL12177305 0.89 MGAM (0.66) CA9MGAMCA12CA1CA2
SCHEMBL12177685 0.87 AURKA (0.65) CA9MGAMCA12CA1CA2
SCHEMBL12177714 0.86 CA9 (0.69) CA9MGAMCA12CA1CA2
SCHEMBL12177724 0.86 ALDH1A1 (0.59) CA9MGAMCA12CA1CA2
SCHEMBL12177727 0.86 ALDH1A1 (0.59) CA9MGAMCA12CA1CA2
SCHEMBL12177552 0.85 MGAM (0.57) CA9MGAMCA12CA1CA2
SCHEMBL12177732 0.85 MGAM (0.57) CA9MGAMCA12CA1CA2

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 — — WO disclosed
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