SCHEMBL30985111

SCHEMBL30985111

O=[N+]([O-])c1ccc(N2CCC(N3CCC4(CCNC4)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SIRT6 Q8N6T7 2/20 0.52
ADRB1 P08588 1/20 0.52
L3MBTL3 Q96JM7 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
ESRRG P62508 1/20 0.46
MAPT P10636 4/20 0.45
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL30984953 0.93 SIRT6 (0.58) MEN1KMT2ASIRT6ADRB1L3MBTL3
SCHEMBL30985028 0.91 MEN1 (0.59) MEN1KMT2ASIRT6ADRB1L3MBTL3
SCHEMBL30984901 0.88 SIRT6 (0.63) MEN1KMT2ASIRT6ADRB1ESRRG
SCHEMBL30984849 0.84 MEN1 (0.60) MEN1KMT2ASIRT6ADRB1MAPT
SCHEMBL30984702 0.84 SIRT6 (0.50) MEN1KMT2ASIRT6ADRB1ESRRG
SCHEMBL30984674 0.83 MEN1 (0.62) MEN1KMT2ASIRT6ADRB1MAPT
SCHEMBL29985984 0.83 MEN1 (0.54) MEN1KMT2ASIRT6ADRB1L3MBTL3
SCHEMBL16206952 0.82 SIRT6 (0.72) MEN1KMT2ASIRT6ADRB1L3MBTL3
SCHEMBL30984980 0.82 MEN1 (0.63) MEN1KMT2ASIRT6ADRB1MAPT
Hydrochloric Acid SCHEMBL16195575 0.81 SIRT6 (0.70) MEN1KMT2ASIRT6ADRB1L3MBTL3

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed