SCHEMBL10770872

SCHEMBL10770872

Cc1nsc(SCOC(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSD17B10 Q99714 5/20 0.36
▸ MAPT P10636 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KMT2A Q03164 5/20 0.33
▸ TSHR P16473 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 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
SCHEMBL10770869 0.87 ALDH1A1 (0.38) ALDH1A1L3MBTL1HSD17B10MAPTHPGD
SCHEMBL10770339 0.75 ALDH1A1 (0.41) ALDH1A1L3MBTL1MAPTHPGDKMT2A
SCHEMBL10402728 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1HSD17B10MAPTHPGD
SCHEMBL11522020 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10MAPTHPGD
SCHEMBL10404083 0.71 GAA (0.62) ALDH1A1L3MBTL1MAPTHPGDKMT2A
SCHEMBL10401887 0.70 CYP1A2 (0.31) —
SCHEMBL25333878 0.70 — —
SCHEMBL10405233 0.68 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL10402745 0.64 HSD17B10 (0.43) ALDH1A1L3MBTL1HSD17B10HPGDTP53
SCHEMBL29132914 0.63 — —

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
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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