SCHEMBL29956734

SCHEMBL29956734

Cc1cnc(O)c(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.54
SRC P12931 2/20 0.43
KDM4E B2RXH2 3/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
AOX1 Q06278 1/20 0.33
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33

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
SCHEMBL8315036 0.79 KDM4E (0.35) ERN1KDM4ECCR1CCR5CCR8
SCHEMBL6626617 0.78 ERN1 (0.46) ERN1SRCKDM4ECCR1CCR5
SCHEMBL29952796 0.78 ERN1 (0.46) ERN1SRCKDM4ECCR1CCR5
SCHEMBL2851214 0.75 ALDH1A1 (0.47) ERN1SRCKDM4ECCR1CCR5
SCHEMBL4640515 0.75 ERN1 (0.43) ERN1SRCKDM4ECCR1CCR5
SCHEMBL20124974 0.75 NOS3 (0.54) ERN1SRCKDM4ECCR1CCR5
SCHEMBL29955266 0.75 ERN1 (0.43) ERN1SRCKDM4ECCR1CCR5
SCHEMBL29954957 0.75 ALDH1A1 (0.47) ERN1SRCKDM4ECCR1CCR5
SCHEMBL14115886 0.75 ERN1 (0.48) ERN1OPRK1ALDH1A1LMNAKMT2A
SCHEMBL8364837 0.75 ERN1 (0.34) ERN1KDM4EALDH1A1LMNAMEN1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed