SCHEMBL31405697

SCHEMBL31405697

Cc1cc(-n2nc(C(=O)O)c(=O)[nH]c2=O)cc(C)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
STAT1 P42224 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
THRB P10828 1/20 0.37
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 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
SCHEMBL8961569 0.81 L3MBTL1 (0.48) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL3474407 0.78 L3MBTL1 (0.48) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL6219063 0.78 THRB (0.48) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL6214353 0.77 L3MBTL1 (0.47) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL7850093 0.77 THRA (0.43) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL5846631 0.76 MAPT (0.56) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL10408308 0.76 THRA (0.55) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL31405784 0.75 THRA (0.48) THRAMAPTMAPK1ALDH1A1GAA
SCHEMBL11471529 0.75 THRA (0.54) THRAL3MBTL1ATMKMT2ACYP2D6
SCHEMBL9132407 0.74 L3MBTL1 (0.55) THRAL3MBTL1ATMKMT2ACYP2D6

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-2024260309-A1 THR-β RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE METHOD THEREFOR 西威埃医药技术(上海)有限公司 2024-12-26 WO disclosed