SCHEMBL20649208

SCHEMBL20649208

CN(C)CCOCCOCCn1ccc(NC(=O)c2ccc(NC(=O)[C@@H](N)CO)cc2)nc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 2/20 0.33
MAPT P10636 2/20 0.33
CA2 P00918 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
HTR1F P30939 1/20 0.32
RET P07949 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
HTR1D P28221 2/20 0.32
HTR1B P28222 2/20 0.32
HTR2A P28223 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL20648979 1.00 SPHK1 (0.34) SPHK1SMN1; SMN2RAB9AMAPTCA2
SCHEMBL20648931 0.89 CA2 (0.34) SPHK1SMN1; SMN2RAB9ACA2AAK1
SCHEMBL20648886 0.84 TP53 (0.34) SMN1; SMN2MAPTCA2KDM4EALDH1A1
SCHEMBL20648880 0.84 TP53 (0.34) SMN1; SMN2MAPTCA2KDM4EALDH1A1
SCHEMBL20649206 0.83 MAPT (0.45) SPHK1SMN1; SMN2RAB9AMAPTAAK1
SCHEMBL20648878 0.83 TP53 (0.34) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL20649005 0.78 SPHK1 (0.37) SPHK1SMN1; SMN2RAB9AMAPTAAK1
SCHEMBL20648866 0.77 SPHK1 (0.36) SPHK1SMN1; SMN2RAB9AMAPTAAK1
SCHEMBL20649249 0.76 HRH2 (0.40) SPHK1HTR1FHTR1DHTR1BMEN1
SCHEMBL20648883 0.73 MAP3K5 (0.36) SMN1; SMN2RAB9AMAPTALDH1A1HPGD

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-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed