SCHEMBL12177528

SCHEMBL12177528

Cc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccc(C)cc4)s3)C(=O)N2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ AURKA O14965 8/20 0.48
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KEAP1 Q14145 1/20 0.48
▸ NFE2L2 Q16236 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MGAM O43451 3/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47

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
SCHEMBL12177707 0.94 MGAM (0.53) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL12177149 0.94 AURKA (0.53) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL12177425 0.94 LMNA (0.56) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL12177544 0.93 ALDH1A1 (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL12177692 0.87 ALDH1A1 (0.52) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL12177167 0.87 TDP1 (0.60) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL12177697 0.84 LMNA (0.55) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL2594706 0.84 CA9 (0.54) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL2594707 0.84 CA9 (0.54) ALDH1A1AURKAMAPTLMNAMEN1
SCHEMBL2594705 0.84 CA9 (0.54) ALDH1A1AURKAMAPTLMNAMEN1

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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