SCHEMBL20764818

SCHEMBL20764818

CCC(O[C@@H]1CCCCO1)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC6A3 Q01959 2/20 0.31
EPHX1 P07099 2/20 0.31
HTT P42858 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL9787 1.00 MEN1 (0.34) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL29397787 0.88 ALDH1A1 (0.33) MEN1KMT2AALDH1A1
SCHEMBL1610399 0.86 MEN1 (0.37) MEN1KMT2ATDP1ALDH1A1SLC6A3
SCHEMBL29399995 0.85 CA1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL4633132 0.84 MEN1 (0.34) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL29870181 0.84 ALDH1A1 (0.34) MEN1KMT2AALDH1A1
SCHEMBL29870007 0.83 NAAA (0.35) MEN1KMT2AALDH1A1
SCHEMBL10704941 0.83 NAAA (0.35) MEN1KMT2AALDH1A1
SCHEMBL29397857 0.82 EPHX1 (0.33) MEN1KMT2ASLC6A3EPHX1
SCHEMBL8078214 0.80 MAPT (0.33) MEN1KMT2A

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
WO-2019038362-A1 ANTIBACTERIAL PYRROLOIMIDAZOLONES IDORSIA PHARMACEUTICALS LTD (CH) 2019-02-28 WO disclosed