SCHEMBL19691913

SCHEMBL19691913

CC(C)(C)C(=O)Nc1nc(Cl)ccc1C(O)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 5/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ HTT P42858 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ PDGFRB P09619 1/20 0.32
▸ MITF O75030 1/20 0.32

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
SCHEMBL5375594 0.85 KMT2A (0.34) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL27635422 0.79 ALDH1A1 (0.34) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17980699 0.78 L3MBTL1 (0.54) CTSAL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5363322 0.76 L3MBTL1 (0.35) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1661669 0.74 KMT2A (0.47) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5383471 0.74 LMNA (0.40) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL25315958 0.74 L3MBTL1 (0.37) CTSAL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL267725 0.73 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3326127 0.72 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1047479 0.72 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3468970-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2019-04-17 — — EP disclosed
EP-3468975-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2019-04-17 — — EP disclosed
WO-2017211760-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 — — WO disclosed
WO-2017211759-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-14 — — WO disclosed
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