SCHEMBL10404479

SCHEMBL10404479

CN(C)CCc1nnc(SCOC(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.37
▸ GLS O94925 6/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 1/20 0.31

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
SCHEMBL10404478 0.89 KDM4E (0.34) APEX1GLSALDH1A1GAAL3MBTL1
SCHEMBL10403063 0.79 KDM4E (0.40) APEX1GLSALDH1A1GAAL3MBTL1
SCHEMBL10402745 0.78 HSD17B10 (0.43) APEX1ALDH1A1GAAL3MBTL1HPGD
SCHEMBL10403061 0.76 KDM4E (0.40) APEX1GLSALDH1A1GAAL3MBTL1
SCHEMBL10401908 0.76 KDM4E (0.41) APEX1GLSALDH1A1KDM4ETDP1
SCHEMBL10404083 0.74 GAA (0.62) APEX1ALDH1A1GAAL3MBTL1HPGD
SCHEMBL10403434 0.74 KMT2A (0.37) ALDH1A1KDM4EKMT2A
SCHEMBL10403614 0.71 ALDH1A1 (0.32) APEX1ALDH1A1KDM4E
SCHEMBL10767752 0.69 — —
SCHEMBL11657270 0.64 HTR7 (0.55) APEX1ALDH1A1KDM4ETDP1HTR7

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
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