SCHEMBL12177166

SCHEMBL12177166

Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 5/20 0.70
▸ LMNA P02545 3/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ CA9 Q16790 4/20 0.61
▸ MGAM O43451 3/20 0.61
▸ CA12 O43570 3/20 0.61
▸ CA1 P00915 3/20 0.61
▸ CA2 P00918 3/20 0.61
▸ PSMB8 P28062 1/20 0.54
▸ FAAH O00519 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ NFE2L2 Q16236 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL12177685 0.96 AURKA (0.65) AURKALMNATDP1CA9MGAM
SCHEMBL12177712 0.94 AURKA (0.75) AURKALMNATDP1CA9MGAM
SCHEMBL12177755 0.90 AURKA (0.60) AURKALMNATDP1CA9MGAM
SCHEMBL12177571 0.88 CA9 (0.69) AURKALMNATDP1CA9MGAM
SCHEMBL12177580 0.86 MGAM (0.60) AURKALMNATDP1CA9MGAM
SCHEMBL12177776 0.86 TDP1 (0.56) AURKALMNATDP1CA9MGAM
SCHEMBL12177714 0.86 CA9 (0.69) AURKALMNATDP1CA9MGAM
SCHEMBL12177682 0.84 CA9 (0.70) AURKALMNATDP1CA9MGAM
SCHEMBL12177425 0.84 LMNA (0.56) AURKALMNATDP1CA9MGAM
SCHEMBL12177369 0.82 LMNA (0.62) AURKALMNATDP1PSMB8MEN1

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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