SCHEMBL25816679

SCHEMBL25816679

CCC(=O)NCCCCN(C)CCCCNC(=O)CC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
DNM1 Q05193 2/20 0.44
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
EPHX1 P07099 2/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 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
SCHEMBL25816837 0.98 MEN1 (0.68) MEN1KMT2ADNM1CASP2RECQL
SCHEMBL25817165 0.98 MEN1 (0.68) MEN1KMT2ADNM1CASP2RECQL
SCHEMBL19570491 0.94 MEN1 (0.63) MEN1KMT2ADNM1CASP2RECQL
SCHEMBL25751510 0.88 MEN1 (0.71) MEN1KMT2ADNM1CASP2RECQL
SCHEMBL25816703 0.87 MEN1 (0.53) MEN1KMT2ADNM1CASP2RECQL
SCHEMBL16384405 0.86 MEN1 (0.68) MEN1KMT2ADNM1CASP2ALDH1A1
SCHEMBL16316426 0.85 MEN1 (0.58) MEN1KMT2ADNM1RECQLALDH1A1
SCHEMBL17229157 0.84 MEN1 (1.00) MEN1KMT2ACASP2RECQLALDH1A1
SCHEMBL25816685 0.84 CASP2 (0.66) MEN1KMT2ADNM1CASP2NAAA
SCHEMBL25837119 0.83 MEN1 (0.71) MEN1KMT2ADNM1CASP2RECQL

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