SCHEMBL12177369

SCHEMBL12177369

CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)cc2)S/C1=N/c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ DUSP26 Q9BV47 2/20 0.60
▸ AURKA O14965 1/20 0.60
▸ PSMB8 P28062 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL12177712 0.88 AURKA (0.75) LMNATDP1AURKAPSMB8
SCHEMBL12177489 0.86 ALDH1A1 (0.57) LMNATDP1MEN1ALDH1A1KMT2A
SCHEMBL12177280 0.84 NPC1 (0.66) TDP1POLBL3MBTL1
SCHEMBL12177573 0.84 AURKA (0.60) LMNATDP1DUSP26AURKA
SCHEMBL12177391 0.84 PTPN2 (0.57) LMNATDP1MEN1ALDH1A1KMT2A
SCHEMBL12177166 0.82 AURKA (0.70) LMNATDP1MEN1ALDH1A1KMT2A
SCHEMBL12177755 0.82 AURKA (0.60) LMNATDP1MEN1ALDH1A1KMT2A
SCHEMBL12177685 0.82 AURKA (0.65) LMNATDP1MEN1ALDH1A1KMT2A
SCHEMBL12177501 0.81 PTPN2 (0.61) TDP1MEN1ALDH1A1KMT2APOLB
SCHEMBL12177731 0.81 PTPN2 (0.61) TDP1MEN1ALDH1A1KMT2APOLB

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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