SCHEMBL28634655

SCHEMBL28634655

C=CCNC(=S)NOCCO

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 4/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL28122821 0.78 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EMAPTMAPK1
SCHEMBL30850128 0.76 TSHR (0.35) TSHRMAPK1KMT2AMEN1
SCHEMBL176403 0.75 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EMAPTMAPK1
SCHEMBL325076 0.73 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EMAPTMAPK1
Iodide SCHEMBL8715119 0.71 ALDH1A1 (0.59) ALDH1A1TSHRKDM4EMAPTMAPK1
SCHEMBL456759 0.70
SCHEMBL28018408 0.70
SCHEMBL29163588 0.68
SCHEMBL1733093 0.66
SCHEMBL28461429 0.66

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-113440418-A Dental polymerizable composition 株式会社GC 2021-09-28 CN disclosed