SCHEMBL29066252

SCHEMBL29066252

COc1ncc(Br)cc1OC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
SHMT2 P34897 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
DYRK1A Q13627 1/20 0.35
TSHR P16473 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
NNMT P40261 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
SIK1 P57059 1/20 0.33
SIK2 Q9H0K1 1/20 0.33

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
SCHEMBL29066233 0.82 DYRK1A (0.36) MAPTSIRT6DYRK1ANNMTALDH1A1
SCHEMBL16554531 0.82 SQOR (0.38) SIRT6PIK3CADYRK1ANNMTPOLB
SCHEMBL16936117 0.81 DYRK1A (0.35) MAPTSIRT6DYRK1ANNMTALDH1A1
SCHEMBL8916 0.79 PIK3CA (0.49) MAPTSHMT2PIK3CAMTORHTT
SCHEMBL29611762 0.79 PIK3CA (0.49) MAPTSHMT2PIK3CAMTORHTT
SCHEMBL28702184 0.78 AAK1 (0.32) MAPTHTTAAK1KMT2A
SCHEMBL28527777 0.78 KMT2A (0.47) MAPTSHMT2DYRK1AHTTPOLB
SCHEMBL28705730 0.77 SMN1; SMN2 (0.44) MAPTALDH1A1KMT2A
SCHEMBL8125788 0.77 NNMT (0.46) MAPTSIRT6NNMTALDH1A1POLB
SCHEMBL20639934 0.77 DGAT1 (0.40) MAPTHTTALDH1A1POLBMEN1

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
CN-116710443-A 2-pyridones as thyroid hormone receptor modulators 阿利戈斯治疗公司 2023-09-05 CN disclosed