SCHEMBL23154643

SCHEMBL23154643

COC(=O)C(N)CSC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.51
KMT2A Q03164 5/20 0.47
GPR139 Q6DWJ6 1/20 0.44
TSHR P16473 1/20 0.42
LTA4H P09960 2/20 0.40
SLC7A5 Q01650 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HTT P42858 1/20 0.39
ESRRB O95718 1/20 0.39
GAA P10253 1/20 0.38

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
Hydrochloric Acid SCHEMBL23152569 0.98 KIF11 (0.50) KIF11KMT2AGPR139TSHRLTA4H
Hydrochloric Acid SCHEMBL23152572 0.98 KIF11 (0.50) KIF11KMT2AGPR139TSHRLTA4H
SCHEMBL10633562 0.83 ESRRB (0.49) KMT2AGPR139TSHRALDH1A1MAPT
SCHEMBL10639568 0.83 ESRRB (0.49) KMT2AGPR139TSHRALDH1A1MAPT
SCHEMBL9082829 0.83 ESRRB (0.49) KMT2AGPR139TSHRALDH1A1MAPT
SCHEMBL7611296 0.82 KIF11 (0.50) KIF11SLC7A5PTGS1
SCHEMBL1192897 0.82 KIF11 (0.50) KIF11SLC7A5PTGS1
SCHEMBL10503996 0.79 GPR139 (0.46) KMT2AGPR139TSHRALDH1A1GAA
SCHEMBL10503368 0.79 GPR139 (0.46) KMT2AGPR139TSHRALDH1A1GAA
SCHEMBL10977541 0.79 KIF11 (0.55) KIF11KMT2ALTA4H

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
US-20220396643-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-15 US disclosed
WO-2021060336-A1 NOVEL CROSSLINKED ALGINIC ACID STRUCTURE 持田製薬株式会社 2021-04-01 WO disclosed