SCHEMBL30985131

SCHEMBL30985131

O=[N+]([O-])c1ccc(N2CCC(CN3CCC4(CCNCC4)CC3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.56
ADRB1 P08588 1/20 0.56
HRH3 Q9Y5N1 1/20 0.49
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
ESRRG P62508 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL30984702 0.93 SIRT6 (0.50) SIRT6ADRB1HRH3SIGMAR1MAPT
SCHEMBL30984879 0.92 SIRT6 (0.57) SIRT6ADRB1HRH3SIGMAR1MAPT
SCHEMBL30985102 0.91 SIRT6 (0.56) SIRT6ADRB1HRH3SIGMAR1MAPT
SCHEMBL30984723 0.91 SIRT6 (0.56) SIRT6ADRB1HRH3SIGMAR1MAPT
SCHEMBL30985176 0.89 SIRT6 (0.50) SIRT6ADRB1HRH3SIGMAR1MAPT
SCHEMBL30817337 0.88 SIRT6 (0.68) SIRT6ADRB1HRH3SIGMAR1MAPT
SCHEMBL30985139 0.85 SIRT6 (0.54) SIRT6ADRB1HRH3MAPTMEN1
SCHEMBL10035909 0.85 SIRT6 (0.71) SIRT6ADRB1MAPTMEN1KMT2A
SCHEMBL30985199 0.84 SIRT6 (0.53) SIRT6ADRB1HRH3MAPTMEN1
SCHEMBL30984953 0.83 SIRT6 (0.58) SIRT6ADRB1HRH3MAPTMEN1

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