SCHEMBL25817161

SCHEMBL25817161

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
RAB9A P51151 1/20 0.36
DNM1 Q05193 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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 0.91 MEN1 (0.64) MEN1KMT2ARECQLMTNR1AMTNR1B
SCHEMBL25837119 0.91 MEN1 (0.71) MEN1KMT2ARECQLDNM1SMN1; SMN2
SCHEMBL16550038 0.84 MEN1 (0.54) MEN1KMT2ATSHRUSP2RECQL
SCHEMBL26838432 0.84 MCL1 (0.48) MEN1KMT2ATSHRRAB9ADNM1
SCHEMBL18738815 0.83 MEN1 (0.52) MEN1KMT2ATSHRUSP2RECQL
SCHEMBL12799428 0.83 MEN1 (0.78) MEN1KMT2ATSHRUSP2RECQL
SCHEMBL16316426 0.79 MEN1 (0.58) MEN1KMT2ARECQLMTNR1AMTNR1B
SCHEMBL12565683 0.79 MEN1 (0.39) MEN1KMT2AUSP2RAB9ADNM1
SCHEMBL20849997 0.78 MEN1 (0.52) MEN1KMT2ATSHRRECQLMTNR1A
SCHEMBL19540784 0.78 CASP2 (0.59) MEN1KMT2ADNM1

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