SCHEMBL31073233

SCHEMBL31073233

O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(CO)cc3)CC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.76
ALDH1A1 P00352 3/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
NPBWR1 P48145 1/20 0.76
MCHR1 Q99705 1/20 0.76
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CASP1 P29466 1/20 0.55
CASP4 P49662 1/20 0.55
CASP5 P51878 1/20 0.55
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL6704714 0.88 ALDH1A1 (0.97) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL31073177 0.80 MAPT (0.64) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1682842 0.79 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL31073093 0.78 MAPT (0.57) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL7954746 0.78 MAPT (0.68) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL6706031 0.77 MAPT (0.69) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1644609 0.76 MAPT (0.66) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL1644981 0.76 MAPT (0.66) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL2828726 0.76 MAPT (0.63) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL4689998 0.76 MAPT (0.63) MAPTALDH1A1L3MBTL1NPBWR1MCHR1

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-2024173646-A1 CYCLIN-DEPENDENT KINASE DEGRADING COMPOUNDS INNOVO THERAPEUTICS, INC. (US) 2024-08-22 WO disclosed