SCHEMBL31207282

SCHEMBL31207282

[2H]C([2H])([2H])C(C(=O)O)(C(=O)O)c1cc(OC)ncc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
ERN1 O75460 1/20 0.33
PABPC1 P11940 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL25583848 0.90 NNMT (0.40) NNMTMEN1KMT2AMAPTFFAR4
SCHEMBL31207261 0.81 POLB (0.39) MEN1KMT2AMAPTFFAR4POLB
SCHEMBL31099092 0.81 POLB (0.39) MEN1KMT2AMAPTFFAR4POLB
SCHEMBL29002114 0.79 MEN1 (0.41) NNMTMEN1KMT2AMAPTFFAR4
SCHEMBL30318801 0.78 NNMT (0.38) NNMTMEN1KMT2AMAPTFFAR4
SCHEMBL26179805 0.77 NNMT (0.40) NNMTMEN1KMT2AMAPTFFAR4
SCHEMBL24094506 0.75 CNR2 (0.40) NNMTMEN1KMT2AMAPTFFAR4
SCHEMBL30318808 0.75 CNR2 (0.40) NNMTMEN1KMT2AMAPTFFAR4
SCHEMBL29002106 0.75 GPBAR1 (0.37) MEN1KMT2AGAANPSR1POLB
SCHEMBL16472498 0.73 ALOX5AP (0.39) NNMTMEN1KMT2AMAPTFFAR4

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-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed