SCHEMBL12177425

SCHEMBL12177425

Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ AURKA O14965 3/20 0.56
▸ PSMB8 P28062 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ CA9 Q16790 3/20 0.49
▸ S1PR4 O95977 1/20 0.49
▸ MGAM O43451 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL12177149 0.96 AURKA (0.53) LMNATDP1AURKAPSMB8ALDH1A1
SCHEMBL12177528 0.94 ALDH1A1 (0.48) LMNATDP1AURKAALDH1A1MEN1
SCHEMBL12177167 0.93 TDP1 (0.60) LMNATDP1AURKAPSMB8ALDH1A1
SCHEMBL12177697 0.90 LMNA (0.55) LMNATDP1AURKAPSMB8ALDH1A1
SCHEMBL12177707 0.89 MGAM (0.53) LMNATDP1AURKAALDH1A1MEN1
SCHEMBL12177544 0.87 ALDH1A1 (0.58) LMNATDP1ALDH1A1MEN1MAPT
SCHEMBL2594705 0.86 CA9 (0.54) LMNATDP1AURKAPSMB8ALDH1A1
SCHEMBL2594707 0.86 CA9 (0.54) LMNATDP1AURKAPSMB8ALDH1A1
SCHEMBL2594706 0.86 CA9 (0.54) LMNATDP1AURKAPSMB8ALDH1A1
SCHEMBL12177692 0.84 ALDH1A1 (0.52) LMNATDP1AURKAALDH1A1MEN1

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