SCHEMBL31426897

SCHEMBL31426897

CCC[n+]1c(C)ccc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
RAB9A P51151 4/20 0.61
ATM Q13315 2/20 0.61
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
NPC1 O15118 3/20 0.49
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPSR1 Q6W5P4 4/20 0.41
HTT P42858 3/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 2/20 0.41
RGS12 O14924 1/20 0.41
HSP90AA1 P07900 1/20 0.41
THRB P10828 1/20 0.41
RAD52 P43351 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL13154142 1.00 MEN1 (0.61) MEN1KMT2ARAB9AATMKDM4E
SCHEMBL12194203 0.89 MEN1 (0.64) MEN1KMT2ARAB9AATMKDM4E
SCHEMBL9603085 0.87 KDM4E (0.61) MEN1KMT2ARAB9AATMKDM4E
SCHEMBL9704067 0.86 KDM4E (0.60) MEN1KMT2ARAB9AATMKDM4E
SCHEMBL1049882 0.84 KDM4E (0.53) MEN1KMT2ARAB9AATMKDM4E
Iodide SCHEMBL14740354 0.83 ALDH1A1 (0.65) MEN1KMT2ARAB9AATMKDM4E
Hydrochloric Acid SCHEMBL6333076 0.82 KDM4E (0.51) MEN1KMT2ARAB9AATMKDM4E
Iodide SCHEMBL29227333 0.82 KDM4E (0.51) MEN1KMT2ARAB9AATMKDM4E
Iodide SCHEMBL82245 0.82 ALDH1A1 (0.51) MEN1KMT2ARAB9AATMKDM4E
SCHEMBL9935123 0.82 ALDH1A1 (0.54) MEN1KMT2ARAB9AATMKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285619-A Bicolor fluorescent probe for monitoring lysosome polarity and viscosity fluctuation in apoptosis process and preparation method and application thereof 郑州大学 2025-01-10 CN claimed
CN-119285619-A Bicolor fluorescent probe for monitoring lysosome polarity and viscosity fluctuation in apoptosis process and preparation method and application thereof 郑州大学 2025-01-10 CN disclosed