SCHEMBL12177452

SCHEMBL12177452

C=CCN1C(=O)S/C(=C\c2ccc(-c3cccc(OC)c3)o2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.58
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ POLB P06746 4/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ GPR55 Q9Y2T6 1/20 0.52
▸ ITGB2 P05107 3/20 0.52
▸ ITGAM P11215 3/20 0.52
▸ MAP3K5 Q99683 1/20 0.51
▸ PTPN22 Q9Y2R2 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CISD1 Q9NZ45 1/20 0.48

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
SCHEMBL12177565 0.88 MAP3K5 (0.62) MEN1KMT2APOLBL3MBTL1ITGB2
SCHEMBL12177493 0.85 MEN1 (0.59) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL12177524 0.85 PIK3CG (0.57) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL3134591 0.84 MEN1 (0.63) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL3134579 0.84 MEN1 (0.63) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL3134585 0.84 MEN1 (0.63) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL12177523 0.83 PIK3CG (0.65) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL12177363 0.83 CISD1 (0.63) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL12177496 0.82 MEN1 (0.69) PIK3CGMEN1KMT2APOLBL3MBTL1
SCHEMBL12177136 0.82 CISD1 (0.56) SMN1; SMN2ALDH1A1MAPK1CISD1AKR1B1

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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