SCHEMBL12177712

SCHEMBL12177712

CN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S/C1=N/c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 6/20 0.75
▸ LMNA P02545 2/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ MGAM O43451 4/20 0.65
▸ CA12 O43570 4/20 0.65
▸ CA1 P00915 4/20 0.65
▸ CA2 P00918 4/20 0.65
▸ CA9 Q16790 4/20 0.65
▸ PSMB8 P28062 1/20 0.57
▸ FAAH O00519 1/20 0.57
▸ HPGD P15428 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ CISD1 Q9NZ45 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
SCHEMBL12177166 0.94 AURKA (0.70) AURKALMNATDP1MGAMCA12
SCHEMBL12177685 0.93 AURKA (0.65) AURKALMNATDP1MGAMCA12
SCHEMBL12177714 0.92 CA9 (0.69) AURKALMNATDP1MGAMCA12
SCHEMBL12177682 0.90 CA9 (0.70) AURKALMNATDP1MGAMCA12
SCHEMBL12177369 0.88 LMNA (0.62) AURKALMNATDP1PSMB8
SCHEMBL12177573 0.88 AURKA (0.60) AURKALMNATDP1MGAMCA12
SCHEMBL12177755 0.86 AURKA (0.60) AURKALMNATDP1MGAMCA12
SCHEMBL12177688 0.83 CA9 (0.57) AURKALMNATDP1MGAMCA12
SCHEMBL17309381 0.83 AURKA (0.66) AURKALMNATDP1MGAMCA12
SCHEMBL12177580 0.82 MGAM (0.60) AURKALMNATDP1MGAMCA12

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
Send feedback