SCHEMBL11684665

SCHEMBL11684665

CC(C)C(=O)OCCSc1nn[c]s1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL8625350 0.70 SMN1; SMN2 (0.33) ALDH1A1KMT2A
SCHEMBL973701 0.70 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAPOLBMEN1
SCHEMBL10420684 0.67 GAA (0.49) ALDH1A1KDM4EPOLBCYP1A2KMT2A
SCHEMBL465879 0.66
SCHEMBL13430817 0.65 HDAC3 (0.36) LMNA
SCHEMBL8629181 0.65 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAPOLBMEN1
SCHEMBL9313752 0.64 PTGS2 (0.40) KDM4E
SCHEMBL11981899 0.64 RNPEP (0.35) ALDH1A1MEN1KMT2AGAA
SCHEMBL23228276 0.62 HDAC3 (0.34)
SCHEMBL126543 0.62 HDAC3 (0.34)

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
US-4012379-A 7-Acetoacetamidocephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-15 US disclosed