SCHEMBL12177522

SCHEMBL12177522

COc1cccc(-c2csc(/C=C3\S/C(=N/c4ccc(Cl)cc4)N(C)C3=O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MGAM O43451 3/20 0.48
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AURKA O14965 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTP4A3 O75365 1/20 0.41

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
SCHEMBL12177516 0.93 ALDH1A1 (0.57) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177483 0.91 TDP1 (0.51) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177449 0.88 ALDH1A1 (0.61) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177126 0.87 MGAM (0.54) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177404 0.83 AURKA (0.55) ALDH1A1GAATDP1POLBMAPT
SCHEMBL12177547 0.83 PSMB8 (0.56) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177552 0.82 MGAM (0.57) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177732 0.82 MGAM (0.57) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177373 0.81 MGAM (0.61) ALDH1A1NPSR1GAATDP1POLB
SCHEMBL12177288 0.80 TDP1 (0.55) ALDH1A1NPSR1GAATDP1POLB

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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