SCHEMBL28076010

SCHEMBL28076010

CC(=O)OC(=O)Cc1cscn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
SLC6A3 Q01959 3/20 0.34
TSHR P16473 1/20 0.32
ACACB O00763 1/20 0.32
ALOX5 P09917 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CTSK P43235 1/20 0.32
GPR142 Q7Z601 1/20 0.32

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
SCHEMBL16889110 0.80
SCHEMBL24554380 0.72
SCHEMBL23118695 0.71 PKM (0.45) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL23118696 0.71 MAPK1 (0.47) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL1714515 0.69 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL20899785 0.69 MAPK1 (0.44) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL20769320 0.69 MAPK1 (0.44) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL24254590 0.68 PKM (0.49) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL21862328 0.68 KDM4E (0.45) MAPK1NPSR1PKMGAAALDH1A1
SCHEMBL24517923 0.68 MAPK1 (0.44) MAPK1NPSR1PKMGAAALDH1A1

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
CN-103910749-B A kind of preparation method of cefotiam hydrochloride 中节能万润股份有限公司 2016-06-29 CN disclosed