SCHEMBL25837119

SCHEMBL25837119

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

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
CASP2 P42575 1/20 0.44
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.41
DNM1 Q05193 1/20 0.41
EPHX1 P07099 2/20 0.39

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
SCHEMBL25817013 0.96 MEN1 (0.64) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL25817161 0.91 MEN1 (0.56) MEN1KMT2ARECQLALDH1A1SMN1; SMN2
SCHEMBL19540784 0.88 CASP2 (0.59) MEN1KMT2ACASP2NAAADNM1
SCHEMBL17229157 0.84 MEN1 (1.00) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL25816679 0.83 MEN1 (0.71) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL9259257 0.82 MEN1 (0.94) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL11758762 0.82 MEN1 (0.94) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL21765846 0.82 MEN1 (0.94) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL25816837 0.82 MEN1 (0.68) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL25817165 0.82 MEN1 (0.68) MEN1KMT2ACASP2RECQLALDH1A1

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