SCHEMBL9419701

SCHEMBL9419701

CC(O)C(O)CCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ HSD17B10 Q99714 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 8/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.41

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
SCHEMBL4749492 0.86 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL1495136 0.86 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL5085693 0.86 L3MBTL1 (0.49) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL9041281 0.85 SMN1; SMN2 (0.50) L3MBTL1GAAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL8952697 0.85 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952600 0.85 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952567 0.85 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952589 0.85 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952580 0.85 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E
SCHEMBL8952565 0.85 L3MBTL1 (0.48) L3MBTL1GAAHSD17B10SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573617-A4 — — 1994-02-09 — — EP disclosed
EP-0573617-A1 MODULATION OF CELLULAR RESPONSE TO EXTERNAL STIMULI Fred Hutchinson Cancer Research Center (US) 1993-12-15 — — EP disclosed
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