SCHEMBL9680064

SCHEMBL9680064

O=C(O)CCNC(=O)OCCl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ECE1 P42892 3/20 0.42
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 7/20 0.36
EPHX2 P34913 2/20 0.36
BBOX1 O75936 1/20 0.36
PLA2G2A P14555 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PRMT1 Q99873 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
SCHEMBL15550570 0.88 HTT (0.56) HTTKMT2AACHEEPHX2PRMT1
SCHEMBL19513089 0.86 PRMT1 (0.53) HTTKMT2ATSHRACHEEPHX2
SCHEMBL9313040 0.83 ACHE (0.42) HTTECE1ACHEEPHX2BBOX1
SCHEMBL7769360 0.81 ACHE (0.35) HTTACHE
SCHEMBL7769356 0.81 ACHE (0.35) HTTACHE
SCHEMBL28514607 0.78 HTT (0.42) HTTECE1KMT2AACHEEPHX2
SCHEMBL2221096 0.78 HTT (0.42) HTTECE1KMT2AACHEEPHX2
SCHEMBL7255174 0.78 HDAC3 (0.46) HTTECE1KMT2AACHEEPHX2
SCHEMBL7348617 0.78 HTT (0.42) HTTECE1KMT2AACHEEPHX2
SCHEMBL9262629 0.78 HTT (0.39) HTTECE1KMT2AACHEEPHX2

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-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
EP-0272063-B1 MITOMYCIN DERIVATIVES KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1992-04-08 EP disclosed