SCHEMBL25817013

SCHEMBL25817013

CCC(=O)NCCCNC(=O)CN(C)CC(=O)NCCCNC(=O)CC

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
RECQL P46063 1/20 0.42
DNM1 Q05193 2/20 0.41
CASP2 P42575 1/20 0.39
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL25837119 0.96 MEN1 (0.71) MEN1KMT2ARECQLDNM1CASP2
SCHEMBL25817161 0.91 MEN1 (0.56) MEN1KMT2ARECQLDNM1ALDH1A1
SCHEMBL10101148 0.84 MEN1 (0.89) MEN1KMT2ARECQLCASP2NAAA
SCHEMBL19540784 0.83 CASP2 (0.59) MEN1KMT2ADNM1CASP2NAAA
SCHEMBL26838432 0.80 MCL1 (0.48) MEN1KMT2ADNM1CASP2NAAA
SCHEMBL17229157 0.79 MEN1 (1.00) MEN1KMT2ARECQLCASP2NAAA
SCHEMBL25816679 0.79 MEN1 (0.71) MEN1KMT2ARECQLDNM1CASP2
SCHEMBL8741153 0.78 MEN1 (0.48) MEN1KMT2ADNM1CASP2NAAA
SCHEMBL25816837 0.78 MEN1 (0.68) MEN1KMT2ARECQLDNM1CASP2
SCHEMBL25817165 0.78 MEN1 (0.68) MEN1KMT2ARECQLDNM1CASP2

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-2023125806-A1 CONJUGATE FOR PREVENTING AND TREATING VIRAL INFECTIONS AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO disclosed