SCHEMBL30835798

SCHEMBL30835798

[2H]c1cc(B2OC(C)(C)C(C)(C)O2)c2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
EGFR P00533 2/20 0.32
ANPEP P15144 1/20 0.30
LAP3 P28838 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL17531651 1.00 LPL (0.37) LPLLIPGEGFRANPEPLAP3
SCHEMBL17531645 0.89 EGFR (0.34) LPLLIPGEGFR
SCHEMBL30728959 0.84 NCF1 (0.42) LPLLIPGKDM4E
SCHEMBL476912 0.84 NCF1 (0.42) LPLLIPGKDM4E
SCHEMBL481508 0.79 MAPT (0.42) LPLLIPGEGFRKDM4E
SCHEMBL29982045 0.79 MAPT (0.42) LPLLIPGEGFRKDM4E
SCHEMBL2027186 0.75 LPL (0.48) LPLLIPGANPEPLAP3
SCHEMBL17531612 0.75 KDM4E (0.33) KDM4EGPR3
SCHEMBL16112454 0.72 CYP1A2 (0.50) LPLLIPGKDM4E
SCHEMBL31651605 0.72 CYP1A2 (0.50) LPLLIPGKDM4E

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-2024059212-A2 6,6 WESTERN CORE COMPOUNDS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME VANDERBILT UNIVERSITY (US) 2024-03-21 WO disclosed