SCHEMBL15087762

SCHEMBL15087762

C[C@H](O)CNC(=O)c1ccc(-c2cccs2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.62
▸ ALDH1A1 P00352 5/20 0.56
▸ KDM4E B2RXH2 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ GLA P06280 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51

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
SCHEMBL15087732 0.81 RAB9A (0.61) HDAC1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL8328245 0.78 HDAC1 (0.76) HDAC1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL5903723 0.78 HDAC1 (1.00) HDAC1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL13857534 0.77 HDAC1 (0.73) HDAC1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL15090062 0.77 CTSB (0.50) HDAC1ALDH1A1KDM4EL3MBTL1RAB9A
SCHEMBL13044173 0.75 ALDH1A1 (0.68) HDAC1ALDH1A1KDM4EL3MBTL1LMNA
SCHEMBL28799913 0.74 MAPK1 (0.57) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL28007421 0.74 MAPK1 (0.57) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL28801511 0.74 MAPK1 (0.57) ALDH1A1KDM4ELMNAMAPTRAB9A
SCHEMBL17921133 0.73 HDAC1 (0.52) HDAC1ALDH1A1KDM4EL3MBTL1LMNA

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
WO-2015128344-A1 SIALIC ACID DERIVATIVES BROSSMER REINHARD (DE) 2015-09-03 — — WO disclosed
EP-2910561-A1 Sialic acid derivatives Brossmer, Reinhard (DE) 2015-08-26 — — EP disclosed
WO-2013097942-A1 SIALIC ACID DIMERS BROSSMER REINHARD (DE) 2013-07-04 — — WO disclosed
EP-2610263-A1 Sialic acid dimers Brossmer, Reinhard (DE) 2013-07-03 — — EP disclosed
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