SCHEMBL29465757

SCHEMBL29465757

CC(F)(F)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.47
LIPG Q9Y5X9 13/20 0.47
F2 P00734 1/20 0.39
F11 P03951 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
EGFR P00533 1/20 0.39
ROCK1 Q13464 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL4426051 1.00 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL4032950 0.89 LPL (0.49) LPLLIPGF2F11PRSS1
SCHEMBL20875541 0.86 LPL (0.46) LPLLIPGF2F11PRSS1
SCHEMBL21853794 0.86 LPL (0.46) LPLLIPGF2F11PRSS1
SCHEMBL29847114 0.86 LPL (0.46) LPLLIPGF2F11PRSS1
SCHEMBL29465749 0.83 LPL (0.42) LPLLIPGF2F11PRSS1
SCHEMBL5779347 0.83 LPL (0.42) LPLLIPGF2F11PRSS1
SCHEMBL239104 0.79 LPL (0.56) LPLLIPGF2F11PRSS1
SCHEMBL321493 0.79 LPL (0.49) LPLLIPGF2F11PRSS1
SCHEMBL30692214 0.78 LPL (0.47) LPLLIPGF2F11PRSS1

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
EP-3983413-A1 SUBSTITUTED PYRAZOLO-PYRAZINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed